data_18523 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18523 _Entry.Title ; NMR structure of Hsp12, a protein induced by and required for dietary restriction-induced lifespan extension in yeast. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-14 _Entry.Accession_date 2012-06-14 _Entry.Last_release_date 2012-06-14 _Entry.Original_release_date 2012-06-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Andrew Herbert . P. . . 18523 2 Lu-Yun Lian . . . . 18523 3 Alan Morgan . . . . 18523 4 Michele Riesen . . . . 18523 5 Leanne Bloxam . . . . 18523 6 Effie Kosmidou . . . . 18523 7 Brian Wareing . M. . . 18523 8 J. Phelan . . . . 18523 9 Stephen Pennington . R. . . 18523 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18523 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . HERBERTGroup . 18523 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AGING . 18523 'CELL ADHESION' . 18523 LONGEVITY . 18523 PROTEOMICS . 18523 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18523 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 425 18523 '15N chemical shifts' 111 18523 '1H chemical shifts' 683 18523 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-06 . original BMRB . 18523 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4AXP 'BMRB Entry Tracking System' 18523 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18523 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22848679 _Citation.Full_citation . _Citation.Title ; NMR structure of hsp12, a protein induced by and required for dietary restriction-induced lifespan extension in yeast ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLOS One' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e41975 _Citation.Page_last e41975 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andrew Herbert . P. . . 18523 1 2 Michele Riesen . . . . 18523 1 3 Leanne Bloxam . . . . 18523 1 4 Effie Kosmidou . . . . 18523 1 5 Brian Wareing . M. . . 18523 1 6 James Johnson . R. . . 18523 1 7 Marie Phelan . M. . . 18523 1 8 Stephen Pennington . R. . . 18523 1 9 Lu-Yun Lian . . . . 18523 1 10 Alan Morgan . . . . 18523 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Aging 18523 1 NMR 18523 1 longevity 18523 1 proteomics 18523 1 yeast 18523 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18523 _Assembly.ID 1 _Assembly.Name 'HSP12 SDS' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 11690.6574 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HSP12 SDS' 1 $HSP12_SDS A . yes native no no . . . 18523 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HSP12_SDS _Entity.Sf_category entity _Entity.Sf_framecode HSP12_SDS _Entity.Entry_ID 18523 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HSP12_SDS _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSDAGRKGFGEKASEALKPD SQKSYAEQGKEYITDKADKV AGKVQPEDNKGVFQGVHDSA EKGKDNAEGQGESLADQARD YMGAAKSKLNDAVEYVSGRV HGEEDPTKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11690.6574 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP HSP12_YEAST . P22943 . . . . . . . . . . . . . . 18523 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18523 1 2 . SER . 18523 1 3 . ASP . 18523 1 4 . ALA . 18523 1 5 . GLY . 18523 1 6 . ARG . 18523 1 7 . LYS . 18523 1 8 . GLY . 18523 1 9 . PHE . 18523 1 10 . GLY . 18523 1 11 . GLU . 18523 1 12 . LYS . 18523 1 13 . ALA . 18523 1 14 . SER . 18523 1 15 . GLU . 18523 1 16 . ALA . 18523 1 17 . LEU . 18523 1 18 . LYS . 18523 1 19 . PRO . 18523 1 20 . ASP . 18523 1 21 . SER . 18523 1 22 . GLN . 18523 1 23 . LYS . 18523 1 24 . SER . 18523 1 25 . TYR . 18523 1 26 . ALA . 18523 1 27 . GLU . 18523 1 28 . GLN . 18523 1 29 . GLY . 18523 1 30 . LYS . 18523 1 31 . GLU . 18523 1 32 . TYR . 18523 1 33 . ILE . 18523 1 34 . THR . 18523 1 35 . ASP . 18523 1 36 . LYS . 18523 1 37 . ALA . 18523 1 38 . ASP . 18523 1 39 . LYS . 18523 1 40 . VAL . 18523 1 41 . ALA . 18523 1 42 . GLY . 18523 1 43 . LYS . 18523 1 44 . VAL . 18523 1 45 . GLN . 18523 1 46 . PRO . 18523 1 47 . GLU . 18523 1 48 . ASP . 18523 1 49 . ASN . 18523 1 50 . LYS . 18523 1 51 . GLY . 18523 1 52 . VAL . 18523 1 53 . PHE . 18523 1 54 . GLN . 18523 1 55 . GLY . 18523 1 56 . VAL . 18523 1 57 . HIS . 18523 1 58 . ASP . 18523 1 59 . SER . 18523 1 60 . ALA . 18523 1 61 . GLU . 18523 1 62 . LYS . 18523 1 63 . GLY . 18523 1 64 . LYS . 18523 1 65 . ASP . 18523 1 66 . ASN . 18523 1 67 . ALA . 18523 1 68 . GLU . 18523 1 69 . GLY . 18523 1 70 . GLN . 18523 1 71 . GLY . 18523 1 72 . GLU . 18523 1 73 . SER . 18523 1 74 . LEU . 18523 1 75 . ALA . 18523 1 76 . ASP . 18523 1 77 . GLN . 18523 1 78 . ALA . 18523 1 79 . ARG . 18523 1 80 . ASP . 18523 1 81 . TYR . 18523 1 82 . MET . 18523 1 83 . GLY . 18523 1 84 . ALA . 18523 1 85 . ALA . 18523 1 86 . LYS . 18523 1 87 . SER . 18523 1 88 . LYS . 18523 1 89 . LEU . 18523 1 90 . ASN . 18523 1 91 . ASP . 18523 1 92 . ALA . 18523 1 93 . VAL . 18523 1 94 . GLU . 18523 1 95 . TYR . 18523 1 96 . VAL . 18523 1 97 . SER . 18523 1 98 . GLY . 18523 1 99 . ARG . 18523 1 100 . VAL . 18523 1 101 . HIS . 18523 1 102 . GLY . 18523 1 103 . GLU . 18523 1 104 . GLU . 18523 1 105 . ASP . 18523 1 106 . PRO . 18523 1 107 . THR . 18523 1 108 . LYS . 18523 1 109 . LYS . 18523 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18523 1 . SER 2 2 18523 1 . ASP 3 3 18523 1 . ALA 4 4 18523 1 . GLY 5 5 18523 1 . ARG 6 6 18523 1 . LYS 7 7 18523 1 . GLY 8 8 18523 1 . PHE 9 9 18523 1 . GLY 10 10 18523 1 . GLU 11 11 18523 1 . LYS 12 12 18523 1 . ALA 13 13 18523 1 . SER 14 14 18523 1 . GLU 15 15 18523 1 . ALA 16 16 18523 1 . LEU 17 17 18523 1 . LYS 18 18 18523 1 . PRO 19 19 18523 1 . ASP 20 20 18523 1 . SER 21 21 18523 1 . GLN 22 22 18523 1 . LYS 23 23 18523 1 . SER 24 24 18523 1 . TYR 25 25 18523 1 . ALA 26 26 18523 1 . GLU 27 27 18523 1 . GLN 28 28 18523 1 . GLY 29 29 18523 1 . LYS 30 30 18523 1 . GLU 31 31 18523 1 . TYR 32 32 18523 1 . ILE 33 33 18523 1 . THR 34 34 18523 1 . ASP 35 35 18523 1 . LYS 36 36 18523 1 . ALA 37 37 18523 1 . ASP 38 38 18523 1 . LYS 39 39 18523 1 . VAL 40 40 18523 1 . ALA 41 41 18523 1 . GLY 42 42 18523 1 . LYS 43 43 18523 1 . VAL 44 44 18523 1 . GLN 45 45 18523 1 . PRO 46 46 18523 1 . GLU 47 47 18523 1 . ASP 48 48 18523 1 . ASN 49 49 18523 1 . LYS 50 50 18523 1 . GLY 51 51 18523 1 . VAL 52 52 18523 1 . PHE 53 53 18523 1 . GLN 54 54 18523 1 . GLY 55 55 18523 1 . VAL 56 56 18523 1 . HIS 57 57 18523 1 . ASP 58 58 18523 1 . SER 59 59 18523 1 . ALA 60 60 18523 1 . GLU 61 61 18523 1 . LYS 62 62 18523 1 . GLY 63 63 18523 1 . LYS 64 64 18523 1 . ASP 65 65 18523 1 . ASN 66 66 18523 1 . ALA 67 67 18523 1 . GLU 68 68 18523 1 . GLY 69 69 18523 1 . GLN 70 70 18523 1 . GLY 71 71 18523 1 . GLU 72 72 18523 1 . SER 73 73 18523 1 . LEU 74 74 18523 1 . ALA 75 75 18523 1 . ASP 76 76 18523 1 . GLN 77 77 18523 1 . ALA 78 78 18523 1 . ARG 79 79 18523 1 . ASP 80 80 18523 1 . TYR 81 81 18523 1 . MET 82 82 18523 1 . GLY 83 83 18523 1 . ALA 84 84 18523 1 . ALA 85 85 18523 1 . LYS 86 86 18523 1 . SER 87 87 18523 1 . LYS 88 88 18523 1 . LEU 89 89 18523 1 . ASN 90 90 18523 1 . ASP 91 91 18523 1 . ALA 92 92 18523 1 . VAL 93 93 18523 1 . GLU 94 94 18523 1 . TYR 95 95 18523 1 . VAL 96 96 18523 1 . SER 97 97 18523 1 . GLY 98 98 18523 1 . ARG 99 99 18523 1 . VAL 100 100 18523 1 . HIS 101 101 18523 1 . GLY 102 102 18523 1 . GLU 103 103 18523 1 . GLU 104 104 18523 1 . ASP 105 105 18523 1 . PRO 106 106 18523 1 . THR 107 107 18523 1 . LYS 108 108 18523 1 . LYS 109 109 18523 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18523 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HSP12_SDS . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 18523 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18523 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HSP12_SDS . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . pE-SUMO-Pro-Kan . . . 18523 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15NH_SP12 _Sample.Sf_category sample _Sample.Sf_framecode 13C_15NH_SP12 _Sample.Entry_ID 18523 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HSP12_SDS '[U-13C; U-15N]' . . 1 $HSP12_SDS . . 0.45 . . mM . . . . 18523 1 2 SDS 'natural abundance' . . . . . . 100.00 . . mM . . . . 18523 1 3 NaCl 'natural abundance' . . . . . . 40.00 . . mM . . . . 18523 1 4 'Potassium Phosphate' 'natural abundance' . . . . . . 20.00 . . mM . . . . 18523 1 stop_ save_ save_15N_HSP12 _Sample.Sf_category sample _Sample.Sf_framecode 15N_HSP12 _Sample.Entry_ID 18523 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SDS 'natural abundance' . . . . . . 100.00 . . mM . . . . 18523 2 2 NaCl 'natural abundance' . . . . . . 40.00 . . mM . . . . 18523 2 3 'Potassium Phosphate' 'natural abundance' . . . . . . 20.00 . . mM . . . . 18523 2 4 HSP12_SDS [U-15N] . . 1 $HSP12_SDS . . 0.45 . . mM . . . . 18523 2 stop_ save_ ####################### # Sample conditions # ####################### save_SDS _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode SDS _Sample_condition_list.Entry_ID 18523 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.500 . pH 18523 1 pressure 1.000 . atm 18523 1 temperature 318.000 . K 18523 1 stop_ save_ save_CondSet1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet1 _Sample_condition_list.Entry_ID 18523 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298.000 0.0 K 18523 2 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 18523 _Software.ID 1 _Software.Type . _Software.Name AutoDep _Software.Version 4.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 18523 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 18523 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18523 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID GUENTERT ; L.A.Systems, Inc Tokei-Kaikan BLD.1F 1-11-5 Ueno Taito Tokyo, 110-0005 JAPAN ; http://www.las.jp/english/company/contact.html 18523 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'Structure Calculation/refinement' 18523 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 18523 _Software.ID 3 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.1 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 18523 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'NMR Resonance Assignment' 18523 3 stop_ save_ save_DANGLE _Software.Sf_category software _Software.Sf_framecode DANGLE _Software.Entry_ID 18523 _Software.ID 4 _Software.Type . _Software.Name DANGLE _Software.Version 1.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Ming-Sin Cheung et al.' . . 18523 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'Dihedral restraint calculation' 18523 4 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 18523 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker ; Bruker UK Limited Banner Lane Coventry CV4 9GH ; . 18523 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'Data Acquisition' 18523 5 . 'Spectrum Processing' 18523 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 18523 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 18523 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18523 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 600 Bruker Avance . 600 . . . 18523 1 2 800 Bruker Avance . 800 . . . 18523 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18523 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $13C_15NH_SP12 isotropic . . 1 $SDS . . . 1 $600 . . . . . . . . . . . . . . . . 18523 1 2 '3D HNCO' no . . . . . . . . . . 1 $13C_15NH_SP12 isotropic . . 1 $SDS . . . 1 $600 . . . . . . . . . . . . . . . . 18523 1 3 'hncaco (H[N[ca[CO]]])' no . . . . . . . . . . 1 $13C_15NH_SP12 isotropic . . 1 $SDS . . . 1 $600 . . . . . . . . . . . . . . . . 18523 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C_15NH_SP12 isotropic . . 1 $SDS . . . 1 $600 . . . . . . . . . . . . . . . . 18523 1 5 '3D HNCACB' no . . . . . . . . . . 1 $13C_15NH_SP12 isotropic . . 1 $SDS . . . 1 $600 . . . . . . . . . . . . . . . . 18523 1 6 '2D 1H-13C HSQC/HMQC' no . . . . . . . . . . 1 $13C_15NH_SP12 isotropic . . 1 $SDS . . . 2 $800 . . . . . . . . . . . . . . . . 18523 1 7 '3D HNCA' no . . . . . . . . . . 1 $13C_15NH_SP12 isotropic . . 1 $SDS . . . 1 $600 . . . . . . . . . . . . . . . . 18523 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $13C_15NH_SP12 isotropic . . 1 $SDS . . . 1 $600 . . . . . . . . . . . . . . . . 18523 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N_HSP12 isotropic . . 1 $SDS . . . 2 $800 . . . . . . . . . . . . . . . . 18523 1 10 'hbhanh (H{ca|cca}NH)' no . . . . . . . . . . 1 $13C_15NH_SP12 isotropic . . 1 $SDS . . . 2 $800 . . . . . . . . . . . . . . . . 18523 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $13C_15NH_SP12 isotropic . . 1 $SDS . . . 1 $600 . . . . . . . . . . . . . . . . 18523 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $13C_15NH_SP12 isotropic . . 1 $SDS . . . 2 $800 . . . . . . . . . . . . . . . . 18523 1 13 'c-trosy-arom (H[C[caro]])' no . . . . . . . . . . 1 $13C_15NH_SP12 isotropic . . 1 $SDS . . . 2 $800 . . . . . . . . . . . . . . . . 18523 1 14 'hncbcgcdhd (hbCBcgcdHD)' no . . . . . . . . . . 1 $13C_15NH_SP12 isotropic . . 1 $SDS . . . 2 $800 . . . . . . . . . . . . . . . . 18523 1 15 CBCACONH no . . . . . . . . . . 2 $15N_HSP12 solution . . 2 $CondSet1 . . . 1 $600 . . . . . . . . . . . . . . . . 18523 1 16 HBHACONH no . . . . . . . . . . 2 $15N_HSP12 solution . . 2 $CondSet1 . . . 1 $600 . . . . . . . . . . . . . . . . 18523 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18523 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 HDO H . . . . ppm 0.0 internal indirect 1 . . . . . 18523 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18523 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $SDS _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' 1 $13C_15NH_SP12 isotropic 18523 1 2 '3D HNCO' 1 $13C_15NH_SP12 isotropic 18523 1 3 'hncaco (H[N[ca[CO]]])' 1 $13C_15NH_SP12 isotropic 18523 1 4 '3D CBCA(CO)NH' 1 $13C_15NH_SP12 isotropic 18523 1 5 '3D HNCACB' 1 $13C_15NH_SP12 isotropic 18523 1 6 '2D 1H-13C HSQC/HMQC' 1 $13C_15NH_SP12 isotropic 18523 1 7 '3D HNCA' 1 $13C_15NH_SP12 isotropic 18523 1 8 '3D HBHA(CO)NH' 1 $13C_15NH_SP12 isotropic 18523 1 9 '3D 1H-15N NOESY' 2 $15N_HSP12 isotropic 18523 1 10 'hbhanh (H{ca|cca}NH)' 1 $13C_15NH_SP12 isotropic 18523 1 11 '3D HCCH-TOCSY' 1 $13C_15NH_SP12 isotropic 18523 1 12 '3D 1H-13C NOESY' 1 $13C_15NH_SP12 isotropic 18523 1 13 'c-trosy-arom (H[C[caro]])' 1 $13C_15NH_SP12 isotropic 18523 1 14 'hncbcgcdhd (hbCBcgcdHD)' 1 $13C_15NH_SP12 isotropic 18523 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.522 0.001 . 1 . . 538 . . 2 SER HA . 18523 1 2 . 1 1 2 2 SER HB2 H 1 3.954 0.016 . 1 . . 539 . . 2 SER HB2 . 18523 1 3 . 1 1 2 2 SER HB3 H 1 3.922 0.031 . 1 . . 540 . . 2 SER HB3 . 18523 1 4 . 1 1 2 2 SER C C 13 174.175 0.001 . 1 . . 500 . . 2 SER C . 18523 1 5 . 1 1 2 2 SER CA C 13 58.499 0.018 . 1 . . 502 . . 2 SER CA . 18523 1 6 . 1 1 2 2 SER CB C 13 64.397 0.02 . 1 . . 501 . . 2 SER CB . 18523 1 7 . 1 1 3 3 ASP H H 1 8.410 0.004 . 1 . . 120 . . 3 ASP H . 18523 1 8 . 1 1 3 3 ASP HA H 1 4.538 0.008 . 1 . . 541 . . 3 ASP HA . 18523 1 9 . 1 1 3 3 ASP HB2 H 1 2.684 0.003 . 1 . . 542 . . 3 ASP HB2 . 18523 1 10 . 1 1 3 3 ASP HB3 H 1 2.684 0.003 . 1 . . 543 . . 3 ASP HB3 . 18523 1 11 . 1 1 3 3 ASP C C 13 176.286 0.007 . 1 . . 471 . . 3 ASP C . 18523 1 12 . 1 1 3 3 ASP CA C 13 55.185 0.02 . 1 . . 499 . . 3 ASP CA . 18523 1 13 . 1 1 3 3 ASP CB C 13 41.032 0.016 . 1 . . 470 . . 3 ASP CB . 18523 1 14 . 1 1 3 3 ASP N N 15 122.091 0.029 . 1 . . 121 . . 3 ASP N . 18523 1 15 . 1 1 4 4 ALA H H 1 8.071 0.003 . 1 . . 23 . . 4 ALA H . 18523 1 16 . 1 1 4 4 ALA HA H 1 4.277 0.009 . 1 . . 526 . . 4 ALA HA . 18523 1 17 . 1 1 4 4 ALA HB1 H 1 1.383 0.024 . 1 . . 525 . . 4 ALA HB1 . 18523 1 18 . 1 1 4 4 ALA HB2 H 1 1.383 0.024 . 1 . . 525 . . 4 ALA HB2 . 18523 1 19 . 1 1 4 4 ALA HB3 H 1 1.383 0.024 . 1 . . 525 . . 4 ALA HB3 . 18523 1 20 . 1 1 4 4 ALA C C 13 178.312 0.021 . 1 . . 498 . . 4 ALA C . 18523 1 21 . 1 1 4 4 ALA CA C 13 53.247 0.036 . 1 . . 497 . . 4 ALA CA . 18523 1 22 . 1 1 4 4 ALA CB C 13 19.416 0.025 . 1 . . 496 . . 4 ALA CB . 18523 1 23 . 1 1 4 4 ALA N N 15 122.703 0.027 . 1 . . 24 . . 4 ALA N . 18523 1 24 . 1 1 5 5 GLY H H 1 8.093 0.006 . 1 . . 167 . . 5 GLY H . 18523 1 25 . 1 1 5 5 GLY HA2 H 1 3.909 0.026 . 1 . . 544 . . 5 GLY HA2 . 18523 1 26 . 1 1 5 5 GLY HA3 H 1 3.960 0.013 . 1 . . 545 . . 5 GLY HA3 . 18523 1 27 . 1 1 5 5 GLY C C 13 174.305 0.025 . 1 . . 481 . . 5 GLY C . 18523 1 28 . 1 1 5 5 GLY CA C 13 45.777 0.055 . 1 . . 480 . . 5 GLY CA . 18523 1 29 . 1 1 5 5 GLY N N 15 107.315 0.118 . 1 . . 168 . . 5 GLY N . 18523 1 30 . 1 1 6 6 ARG H H 1 7.966 0.008 . 1 . . 208 . . 6 ARG H . 18523 1 31 . 1 1 6 6 ARG HA H 1 4.307 0.014 . 1 . . 546 . . 6 ARG HA . 18523 1 32 . 1 1 6 6 ARG HB2 H 1 1.801 0.008 . 1 . . 548 . . 6 ARG HB2 . 18523 1 33 . 1 1 6 6 ARG HB3 H 1 1.911 0.007 . 1 . . 547 . . 6 ARG HB3 . 18523 1 34 . 1 1 6 6 ARG HG2 H 1 1.646 0.007 . 1 . . 884 . . 6 ARG HG2 . 18523 1 35 . 1 1 6 6 ARG HG3 H 1 1.646 0.007 . 1 . . 885 . . 6 ARG HG3 . 18523 1 36 . 1 1 6 6 ARG HD2 H 1 3.178 0.006 . 1 . . 882 . . 6 ARG HD2 . 18523 1 37 . 1 1 6 6 ARG HD3 H 1 3.178 0.006 . 1 . . 883 . . 6 ARG HD3 . 18523 1 38 . 1 1 6 6 ARG HE H 1 7.135 0.005 . 1 . . 210 . . 6 ARG HE . 18523 1 39 . 1 1 6 6 ARG C C 13 176.780 0.023 . 1 . . 419 . . 6 ARG C . 18523 1 40 . 1 1 6 6 ARG CA C 13 56.985 0.042 . 1 . . 483 . . 6 ARG CA . 18523 1 41 . 1 1 6 6 ARG CB C 13 30.829 0.047 . 1 . . 482 . . 6 ARG CB . 18523 1 42 . 1 1 6 6 ARG CG C 13 27.583 0.077 . 1 . . 887 . . 6 ARG CG . 18523 1 43 . 1 1 6 6 ARG CD C 13 43.699 0.023 . 1 . . 886 . . 6 ARG CD . 18523 1 44 . 1 1 6 6 ARG CZ C 13 159.655 . . 1 . . 1386 . . 6 ARG CZ . 18523 1 45 . 1 1 6 6 ARG N N 15 119.893 0.027 . 1 . . 209 . . 6 ARG N . 18523 1 46 . 1 1 6 6 ARG NE N 15 84.364 0.004 . 1 . . 211 . . 6 ARG NE . 18523 1 47 . 1 1 7 7 LYS H H 1 8.081 0.006 . 1 . . 112 . . 7 LYS H . 18523 1 48 . 1 1 7 7 LYS HA H 1 4.244 0.019 . 1 . . 549 . . 7 LYS HA . 18523 1 49 . 1 1 7 7 LYS HB2 H 1 1.762 0.016 . 1 . . 550 . . 7 LYS HB2 . 18523 1 50 . 1 1 7 7 LYS HB3 H 1 1.761 0.016 . 1 . . 551 . . 7 LYS HB3 . 18523 1 51 . 1 1 7 7 LYS HG2 H 1 1.419 0.008 . 1 . . 892 . . 7 LYS HG2 . 18523 1 52 . 1 1 7 7 LYS HG3 H 1 1.427 0.021 . 1 . . 891 . . 7 LYS HG3 . 18523 1 53 . 1 1 7 7 LYS HD2 H 1 1.667 0.009 . 1 . . 894 . . 7 LYS HD2 . 18523 1 54 . 1 1 7 7 LYS HD3 H 1 1.672 0.022 . 1 . . 893 . . 7 LYS HD3 . 18523 1 55 . 1 1 7 7 LYS HE2 H 1 2.988 0.004 . 1 . . 889 . . 7 LYS HE2 . 18523 1 56 . 1 1 7 7 LYS HE3 H 1 2.988 0.004 . 1 . . 888 . . 7 LYS HE3 . 18523 1 57 . 1 1 7 7 LYS C C 13 177.225 0.039 . 1 . . 485 . . 7 LYS C . 18523 1 58 . 1 1 7 7 LYS CA C 13 57.158 0.038 . 1 . . 488 . . 7 LYS CA . 18523 1 59 . 1 1 7 7 LYS CB C 13 32.911 0.064 . 1 . . 484 . . 7 LYS CB . 18523 1 60 . 1 1 7 7 LYS CG C 13 24.951 0.001 . 1 . . 890 . . 7 LYS CG . 18523 1 61 . 1 1 7 7 LYS CD C 13 29.228 0.025 . 1 . . 895 . . 7 LYS CD . 18523 1 62 . 1 1 7 7 LYS CE C 13 42.516 0.005 . 1 . . 896 . . 7 LYS CE . 18523 1 63 . 1 1 7 7 LYS N N 15 120.244 0.024 . 1 . . 113 . . 7 LYS N . 18523 1 64 . 1 1 8 8 GLY H H 1 8.061 0.006 . 1 . . 47 . . 8 GLY H . 18523 1 65 . 1 1 8 8 GLY HA2 H 1 3.928 0.018 . 1 . . 552 . . 8 GLY HA2 . 18523 1 66 . 1 1 8 8 GLY HA3 H 1 3.949 0.005 . 1 . . 553 . . 8 GLY HA3 . 18523 1 67 . 1 1 8 8 GLY C C 13 174.995 0.012 . 1 . . 487 . . 8 GLY C . 18523 1 68 . 1 1 8 8 GLY CA C 13 46.076 0.053 . 1 . . 486 . . 8 GLY CA . 18523 1 69 . 1 1 8 8 GLY N N 15 107.942 0.071 . 1 . . 48 . . 8 GLY N . 18523 1 70 . 1 1 9 9 PHE H H 1 7.999 0.008 . 1 . . 55 . . 9 PHE H . 18523 1 71 . 1 1 9 9 PHE HA H 1 4.372 0.004 . 1 . . 554 . . 9 PHE HA . 18523 1 72 . 1 1 9 9 PHE HB2 H 1 3.103 0.015 . 1 . . 555 . . 9 PHE HB2 . 18523 1 73 . 1 1 9 9 PHE HB3 H 1 3.106 0.015 . 1 . . 556 . . 9 PHE HB3 . 18523 1 74 . 1 1 9 9 PHE HD1 H 1 7.206 0.003 . 3 . . 1122 . . 9 PHE HD1 . 18523 1 75 . 1 1 9 9 PHE HD2 H 1 7.206 0.003 . 3 . . 1122 . . 9 PHE HD2 . 18523 1 76 . 1 1 9 9 PHE HE1 H 1 7.202 . . 3 . . 1145 . . 9 PHE HE1 . 18523 1 77 . 1 1 9 9 PHE HE2 H 1 7.202 . . 3 . . 1145 . . 9 PHE HE2 . 18523 1 78 . 1 1 9 9 PHE HZ H 1 7.088 . . 1 . . 1147 . . 9 PHE HZ . 18523 1 79 . 1 1 9 9 PHE C C 13 176.940 0.004 . 1 . . 489 . . 9 PHE C . 18523 1 80 . 1 1 9 9 PHE CA C 13 60.169 0.056 . 1 . . 491 . . 9 PHE CA . 18523 1 81 . 1 1 9 9 PHE CB C 13 39.613 0.034 . 1 . . 490 . . 9 PHE CB . 18523 1 82 . 1 1 9 9 PHE CD1 C 13 132.245 . . 3 . . 1132 . . 9 PHE CD1 . 18523 1 83 . 1 1 9 9 PHE CD2 C 13 132.245 . . 3 . . 1132 . . 9 PHE CD2 . 18523 1 84 . 1 1 9 9 PHE CE1 C 13 131.508 . . 3 . . 1146 . . 9 PHE CE1 . 18523 1 85 . 1 1 9 9 PHE CE2 C 13 131.508 . . 3 . . 1146 . . 9 PHE CE2 . 18523 1 86 . 1 1 9 9 PHE CZ C 13 129.592 . . 1 . . 1148 . . 9 PHE CZ . 18523 1 87 . 1 1 9 9 PHE N N 15 120.285 0.04 . 1 . . 56 . . 9 PHE N . 18523 1 88 . 1 1 10 10 GLY H H 1 8.375 0.007 . 1 . . 67 . . 10 GLY H . 18523 1 89 . 1 1 10 10 GLY HA2 H 1 3.686 0.005 . 1 . . 730 . . 10 GLY HA2 . 18523 1 90 . 1 1 10 10 GLY HA3 H 1 3.963 0.005 . 1 . . 731 . . 10 GLY HA3 . 18523 1 91 . 1 1 10 10 GLY C C 13 175.457 0.001 . 1 . . 493 . . 10 GLY C . 18523 1 92 . 1 1 10 10 GLY CA C 13 47.010 0.012 . 1 . . 492 . . 10 GLY CA . 18523 1 93 . 1 1 10 10 GLY N N 15 107.724 0.04 . 1 . . 68 . . 10 GLY N . 18523 1 94 . 1 1 11 11 GLU H H 1 7.942 0.01 . 1 . . 39 . . 11 GLU H . 18523 1 95 . 1 1 11 11 GLU HA H 1 4.075 0.005 . 1 . . 736 . . 11 GLU HA . 18523 1 96 . 1 1 11 11 GLU HB2 H 1 2.044 0.007 . 1 . . 738 . . 11 GLU HB2 . 18523 1 97 . 1 1 11 11 GLU HB3 H 1 2.044 0.007 . 1 . . 735 . . 11 GLU HB3 . 18523 1 98 . 1 1 11 11 GLU HG2 H 1 2.255 0.033 . 1 . . 897 . . 11 GLU HG2 . 18523 1 99 . 1 1 11 11 GLU HG3 H 1 2.290 0.031 . 1 . . 898 . . 11 GLU HG3 . 18523 1 100 . 1 1 11 11 GLU C C 13 178.472 0.027 . 1 . . 733 . . 11 GLU C . 18523 1 101 . 1 1 11 11 GLU CA C 13 59.087 0.031 . 1 . . 734 . . 11 GLU CA . 18523 1 102 . 1 1 11 11 GLU CB C 13 29.756 0.084 . 1 . . 737 . . 11 GLU CB . 18523 1 103 . 1 1 11 11 GLU CG C 13 36.315 0.043 . 1 . . 899 . . 11 GLU CG . 18523 1 104 . 1 1 11 11 GLU N N 15 120.950 0.02 . 1 . . 40 . . 11 GLU N . 18523 1 105 . 1 1 12 12 LYS H H 1 7.851 0.019 . 1 . . 173 . . 12 LYS H . 18523 1 106 . 1 1 12 12 LYS HA H 1 4.112 0.003 . 1 . . 742 . . 12 LYS HA . 18523 1 107 . 1 1 12 12 LYS HB2 H 1 1.818 0.014 . 1 . . 741 . . 12 LYS HB2 . 18523 1 108 . 1 1 12 12 LYS HB3 H 1 1.847 0.012 . 1 . . 743 . . 12 LYS HB3 . 18523 1 109 . 1 1 12 12 LYS HG2 H 1 1.446 0.01 . 1 . . 904 . . 12 LYS HG2 . 18523 1 110 . 1 1 12 12 LYS HG3 H 1 1.493 0.019 . 1 . . 905 . . 12 LYS HG3 . 18523 1 111 . 1 1 12 12 LYS HD2 H 1 1.656 0.02 . 1 . . 902 . . 12 LYS HD2 . 18523 1 112 . 1 1 12 12 LYS HD3 H 1 1.656 0.02 . 1 . . 903 . . 12 LYS HD3 . 18523 1 113 . 1 1 12 12 LYS HE2 H 1 2.962 0.003 . 1 . . 900 . . 12 LYS HE2 . 18523 1 114 . 1 1 12 12 LYS HE3 H 1 2.962 0.003 . 1 . . 901 . . 12 LYS HE3 . 18523 1 115 . 1 1 12 12 LYS C C 13 178.544 . . 1 . . 755 . . 12 LYS C . 18523 1 116 . 1 1 12 12 LYS CA C 13 58.591 0.054 . 1 . . 739 . . 12 LYS CA . 18523 1 117 . 1 1 12 12 LYS CB C 13 32.522 0.052 . 1 . . 740 . . 12 LYS CB . 18523 1 118 . 1 1 12 12 LYS CE C 13 42.513 0.026 . 1 . . 906 . . 12 LYS CE . 18523 1 119 . 1 1 12 12 LYS N N 15 118.961 0.028 . 1 . . 174 . . 12 LYS N . 18523 1 120 . 1 1 13 13 ALA H H 1 8.159 0.008 . 1 . . 81 . . 13 ALA H . 18523 1 121 . 1 1 13 13 ALA HA H 1 3.988 0.004 . 1 . . 747 . . 13 ALA HA . 18523 1 122 . 1 1 13 13 ALA HB1 H 1 1.300 0.021 . 1 . . 746 . . 13 ALA HB1 . 18523 1 123 . 1 1 13 13 ALA HB2 H 1 1.300 0.021 . 1 . . 746 . . 13 ALA HB2 . 18523 1 124 . 1 1 13 13 ALA HB3 H 1 1.300 0.021 . 1 . . 746 . . 13 ALA HB3 . 18523 1 125 . 1 1 13 13 ALA C C 13 178.388 . . 1 . . 754 . . 13 ALA C . 18523 1 126 . 1 1 13 13 ALA CA C 13 54.929 0.05 . 1 . . 744 . . 13 ALA CA . 18523 1 127 . 1 1 13 13 ALA CB C 13 18.577 0.021 . 1 . . 745 . . 13 ALA CB . 18523 1 128 . 1 1 13 13 ALA N N 15 121.313 0.029 . 1 . . 82 . . 13 ALA N . 18523 1 129 . 1 1 14 14 SER H H 1 7.943 0.002 . 1 . . 191 . . 14 SER H . 18523 1 130 . 1 1 14 14 SER HA H 1 4.085 0.004 . 1 . . 751 . . 14 SER HA . 18523 1 131 . 1 1 14 14 SER HB2 H 1 3.941 0.015 . 1 . . 750 . . 14 SER HB2 . 18523 1 132 . 1 1 14 14 SER HB3 H 1 3.965 0.009 . 1 . . 752 . . 14 SER HB3 . 18523 1 133 . 1 1 14 14 SER C C 13 176.173 . . 1 . . 753 . . 14 SER C . 18523 1 134 . 1 1 14 14 SER CA C 13 61.347 0.018 . 1 . . 748 . . 14 SER CA . 18523 1 135 . 1 1 14 14 SER CB C 13 63.414 0.027 . 1 . . 749 . . 14 SER CB . 18523 1 136 . 1 1 14 14 SER N N 15 111.092 0.026 . 1 . . 192 . . 14 SER N . 18523 1 137 . 1 1 15 15 GLU H H 1 7.670 0.013 . 1 . . 245 . . 15 GLU H . 18523 1 138 . 1 1 15 15 GLU HA H 1 4.136 0.012 . 1 . . 756 . . 15 GLU HA . 18523 1 139 . 1 1 15 15 GLU HB2 H 1 2.073 0.008 . 1 . . 757 . . 15 GLU HB2 . 18523 1 140 . 1 1 15 15 GLU HB3 H 1 2.072 0.008 . 1 . . 758 . . 15 GLU HB3 . 18523 1 141 . 1 1 15 15 GLU HG2 H 1 2.297 0.006 . 1 . . 908 . . 15 GLU HG2 . 18523 1 142 . 1 1 15 15 GLU HG3 H 1 2.392 0.015 . 1 . . 907 . . 15 GLU HG3 . 18523 1 143 . 1 1 15 15 GLU C C 13 177.495 0.003 . 1 . . 431 . . 15 GLU C . 18523 1 144 . 1 1 15 15 GLU CA C 13 58.115 0.053 . 1 . . 429 . . 15 GLU CA . 18523 1 145 . 1 1 15 15 GLU CB C 13 29.902 0.028 . 1 . . 430 . . 15 GLU CB . 18523 1 146 . 1 1 15 15 GLU CG C 13 36.280 0.053 . 1 . . 909 . . 15 GLU CG . 18523 1 147 . 1 1 15 15 GLU N N 15 119.703 0.024 . 1 . . 246 . . 15 GLU N . 18523 1 148 . 1 1 16 16 ALA H H 1 7.671 0.004 . 1 . . 21 . . 16 ALA H . 18523 1 149 . 1 1 16 16 ALA HA H 1 4.242 0.005 . 1 . . 759 . . 16 ALA HA . 18523 1 150 . 1 1 16 16 ALA HB1 H 1 1.428 0.016 . 1 . . 760 . . 16 ALA HB1 . 18523 1 151 . 1 1 16 16 ALA HB2 H 1 1.428 0.016 . 1 . . 760 . . 16 ALA HB2 . 18523 1 152 . 1 1 16 16 ALA HB3 H 1 1.428 0.016 . 1 . . 760 . . 16 ALA HB3 . 18523 1 153 . 1 1 16 16 ALA C C 13 177.913 0.012 . 1 . . 428 . . 16 ALA C . 18523 1 154 . 1 1 16 16 ALA CA C 13 53.882 0.022 . 1 . . 426 . . 16 ALA CA . 18523 1 155 . 1 1 16 16 ALA CB C 13 19.658 0.015 . 1 . . 427 . . 16 ALA CB . 18523 1 156 . 1 1 16 16 ALA N N 15 120.536 0.036 . 1 . . 22 . . 16 ALA N . 18523 1 157 . 1 1 17 17 LEU H H 1 7.570 0.004 . 1 . . 43 . . 17 LEU H . 18523 1 158 . 1 1 17 17 LEU HA H 1 4.335 0.005 . 1 . . 766 . . 17 LEU HA . 18523 1 159 . 1 1 17 17 LEU HB2 H 1 1.593 0.006 . 1 . . 765 . . 17 LEU HB2 . 18523 1 160 . 1 1 17 17 LEU HB3 H 1 1.703 0.004 . 1 . . 764 . . 17 LEU HB3 . 18523 1 161 . 1 1 17 17 LEU HG H 1 1.710 0.004 . 1 . . 914 . . 17 LEU HG . 18523 1 162 . 1 1 17 17 LEU HD11 H 1 0.846 0.006 . 1 . . 911 . . 17 LEU HD11 . 18523 1 163 . 1 1 17 17 LEU HD12 H 1 0.846 0.006 . 1 . . 911 . . 17 LEU HD12 . 18523 1 164 . 1 1 17 17 LEU HD13 H 1 0.846 0.006 . 1 . . 911 . . 17 LEU HD13 . 18523 1 165 . 1 1 17 17 LEU HD21 H 1 0.821 0.021 . 1 . . 913 . . 17 LEU HD21 . 18523 1 166 . 1 1 17 17 LEU HD22 H 1 0.821 0.021 . 1 . . 913 . . 17 LEU HD22 . 18523 1 167 . 1 1 17 17 LEU HD23 H 1 0.821 0.021 . 1 . . 913 . . 17 LEU HD23 . 18523 1 168 . 1 1 17 17 LEU C C 13 176.217 0.012 . 1 . . 761 . . 17 LEU C . 18523 1 169 . 1 1 17 17 LEU CA C 13 55.090 0.024 . 1 . . 763 . . 17 LEU CA . 18523 1 170 . 1 1 17 17 LEU CB C 13 42.704 0.031 . 1 . . 762 . . 17 LEU CB . 18523 1 171 . 1 1 17 17 LEU CG C 13 27.351 0.04 . 1 . . 915 . . 17 LEU CG . 18523 1 172 . 1 1 17 17 LEU CD1 C 13 25.653 0.031 . 1 . . 910 . . 17 LEU CD1 . 18523 1 173 . 1 1 17 17 LEU CD2 C 13 23.688 0.037 . 1 . . 912 . . 17 LEU CD2 . 18523 1 174 . 1 1 17 17 LEU N N 15 116.276 0.043 . 1 . . 44 . . 17 LEU N . 18523 1 175 . 1 1 18 18 LYS H H 1 7.661 0.004 . 1 . . 154 . . 18 LYS H . 18523 1 176 . 1 1 18 18 LYS HA H 1 4.537 0.004 . 1 . . 767 . . 18 LYS HA . 18523 1 177 . 1 1 18 18 LYS HB2 H 1 1.817 0.015 . 1 . . 768 . . 18 LYS HB2 . 18523 1 178 . 1 1 18 18 LYS HB3 H 1 1.822 0.016 . 1 . . 769 . . 18 LYS HB3 . 18523 1 179 . 1 1 18 18 LYS HG2 H 1 1.439 0.0 . 1 . . 1422 . . 18 LYS HG2 . 18523 1 180 . 1 1 18 18 LYS HG3 H 1 1.508 0.009 . 1 . . 1423 . . 18 LYS HG3 . 18523 1 181 . 1 1 18 18 LYS HD2 H 1 1.698 0.002 . 1 . . 1417 . . 18 LYS HD2 . 18523 1 182 . 1 1 18 18 LYS HD3 H 1 1.698 0.002 . 1 . . 1418 . . 18 LYS HD3 . 18523 1 183 . 1 1 18 18 LYS HE2 H 1 2.991 . . 1 . . 1420 . . 18 LYS HE2 . 18523 1 184 . 1 1 18 18 LYS HE3 H 1 2.991 . . 1 . . 1419 . . 18 LYS HE3 . 18523 1 185 . 1 1 18 18 LYS C C 13 174.857 . . 1 . . 772 . . 18 LYS C . 18523 1 186 . 1 1 18 18 LYS CA C 13 54.624 0.047 . 1 . . 770 . . 18 LYS CA . 18523 1 187 . 1 1 18 18 LYS CB C 13 32.590 0.063 . 1 . . 771 . . 18 LYS CB . 18523 1 188 . 1 1 18 18 LYS CG C 13 25.326 0.012 . 1 . . 1421 . . 18 LYS CG . 18523 1 189 . 1 1 18 18 LYS CD C 13 29.435 0.027 . 1 . . 1416 . . 18 LYS CD . 18523 1 190 . 1 1 18 18 LYS N N 15 119.921 0.049 . 1 . . 155 . . 18 LYS N . 18523 1 191 . 1 1 19 19 PRO HA H 1 4.426 0.006 . 1 . . 557 . . 19 PRO HA . 18523 1 192 . 1 1 19 19 PRO HB2 H 1 1.961 0.021 . 1 . . 558 . . 19 PRO HB2 . 18523 1 193 . 1 1 19 19 PRO HB3 H 1 2.270 0.006 . 1 . . 559 . . 19 PRO HB3 . 18523 1 194 . 1 1 19 19 PRO HG2 H 1 1.963 0.024 . 1 . . 1396 . . 19 PRO HG2 . 18523 1 195 . 1 1 19 19 PRO HG3 H 1 2.012 0.012 . 1 . . 1397 . . 19 PRO HG3 . 18523 1 196 . 1 1 19 19 PRO HD2 H 1 3.676 0.006 . 1 . . 1392 . . 19 PRO HD2 . 18523 1 197 . 1 1 19 19 PRO HD3 H 1 3.792 0.004 . 1 . . 1394 . . 19 PRO HD3 . 18523 1 198 . 1 1 19 19 PRO C C 13 177.022 . . 1 . . 411 . . 19 PRO C . 18523 1 199 . 1 1 19 19 PRO CA C 13 64.066 0.021 . 1 . . 410 . . 19 PRO CA . 18523 1 200 . 1 1 19 19 PRO CB C 13 32.312 0.059 . 1 . . 409 . . 19 PRO CB . 18523 1 201 . 1 1 19 19 PRO CG C 13 27.601 0.016 . 1 . . 1395 . . 19 PRO CG . 18523 1 202 . 1 1 19 19 PRO CD C 13 50.870 0.088 . 1 . . 1393 . . 19 PRO CD . 18523 1 203 . 1 1 20 20 ASP H H 1 8.310 0.003 . 1 . . 164 . . 20 ASP H . 18523 1 204 . 1 1 20 20 ASP HA H 1 4.562 0.015 . 1 . . 560 . . 20 ASP HA . 18523 1 205 . 1 1 20 20 ASP HB2 H 1 2.672 0.014 . 1 . . 561 . . 20 ASP HB2 . 18523 1 206 . 1 1 20 20 ASP HB3 H 1 2.708 0.013 . 1 . . 562 . . 20 ASP HB3 . 18523 1 207 . 1 1 20 20 ASP C C 13 176.682 0.008 . 1 . . 407 . . 20 ASP C . 18523 1 208 . 1 1 20 20 ASP CA C 13 54.771 0.115 . 1 . . 408 . . 20 ASP CA . 18523 1 209 . 1 1 20 20 ASP CB C 13 41.377 0.012 . 1 . . 406 . . 20 ASP CB . 18523 1 210 . 1 1 20 20 ASP N N 15 118.921 0.048 . 1 . . 165 . . 20 ASP N . 18523 1 211 . 1 1 21 21 SER H H 1 7.987 0.003 . 1 . . 63 . . 21 SER H . 18523 1 212 . 1 1 21 21 SER HA H 1 4.351 0.008 . 1 . . 563 . . 21 SER HA . 18523 1 213 . 1 1 21 21 SER HB2 H 1 3.879 0.014 . 1 . . 564 . . 21 SER HB2 . 18523 1 214 . 1 1 21 21 SER HB3 H 1 3.932 0.012 . 1 . . 565 . . 21 SER HB3 . 18523 1 215 . 1 1 21 21 SER C C 13 174.892 0.012 . 1 . . 404 . . 21 SER C . 18523 1 216 . 1 1 21 21 SER CA C 13 59.304 0.043 . 1 . . 403 . . 21 SER CA . 18523 1 217 . 1 1 21 21 SER CB C 13 64.036 0.029 . 1 . . 405 . . 21 SER CB . 18523 1 218 . 1 1 21 21 SER N N 15 115.798 0.038 . 1 . . 64 . . 21 SER N . 18523 1 219 . 1 1 22 22 GLN H H 1 8.377 0.006 . 1 . . 139 . . 22 GLN H . 18523 1 220 . 1 1 22 22 GLN HA H 1 4.248 0.017 . 1 . . 568 . . 22 GLN HA . 18523 1 221 . 1 1 22 22 GLN HB2 H 1 2.007 0.011 . 1 . . 566 . . 22 GLN HB2 . 18523 1 222 . 1 1 22 22 GLN HB3 H 1 2.150 0.007 . 1 . . 567 . . 22 GLN HB3 . 18523 1 223 . 1 1 22 22 GLN HG2 H 1 2.325 0.019 . 1 . . 1424 . . 22 GLN HG2 . 18523 1 224 . 1 1 22 22 GLN HG3 H 1 2.354 0.011 . 1 . . 1425 . . 22 GLN HG3 . 18523 1 225 . 1 1 22 22 GLN C C 13 176.048 0.02 . 1 . . 368 . . 22 GLN C . 18523 1 226 . 1 1 22 22 GLN CA C 13 56.973 0.034 . 1 . . 337 . . 22 GLN CA . 18523 1 227 . 1 1 22 22 GLN CB C 13 29.252 0.051 . 1 . . 338 . . 22 GLN CB . 18523 1 228 . 1 1 22 22 GLN CG C 13 34.376 0.022 . 1 . . 1426 . . 22 GLN CG . 18523 1 229 . 1 1 22 22 GLN N N 15 120.587 0.027 . 1 . . 140 . . 22 GLN N . 18523 1 230 . 1 1 23 23 LYS H H 1 7.871 0.013 . 1 . . 3 . . 23 LYS H . 18523 1 231 . 1 1 23 23 LYS HA H 1 4.292 0.007 . 1 . . 569 . . 23 LYS HA . 18523 1 232 . 1 1 23 23 LYS HB2 H 1 1.615 0.011 . 1 . . 570 . . 23 LYS HB2 . 18523 1 233 . 1 1 23 23 LYS HB3 H 1 1.615 0.011 . 1 . . 571 . . 23 LYS HB3 . 18523 1 234 . 1 1 23 23 LYS HG2 H 1 1.297 0.025 . 1 . . 966 . . 23 LYS HG2 . 18523 1 235 . 1 1 23 23 LYS HG3 H 1 1.307 0.023 . 1 . . 967 . . 23 LYS HG3 . 18523 1 236 . 1 1 23 23 LYS HD2 H 1 1.591 0.003 . 1 . . 968 . . 23 LYS HD2 . 18523 1 237 . 1 1 23 23 LYS HD3 H 1 1.591 0.003 . 1 . . 969 . . 23 LYS HD3 . 18523 1 238 . 1 1 23 23 LYS HE2 H 1 2.926 0.005 . 1 . . 970 . . 23 LYS HE2 . 18523 1 239 . 1 1 23 23 LYS HE3 H 1 2.926 0.005 . 1 . . 971 . . 23 LYS HE3 . 18523 1 240 . 1 1 23 23 LYS C C 13 176.223 0.007 . 1 . . 336 . . 23 LYS C . 18523 1 241 . 1 1 23 23 LYS CA C 13 56.398 0.024 . 1 . . 345 . . 23 LYS CA . 18523 1 242 . 1 1 23 23 LYS CB C 13 33.714 0.059 . 1 . . 339 . . 23 LYS CB . 18523 1 243 . 1 1 23 23 LYS CG C 13 25.016 0.026 . 1 . . 972 . . 23 LYS CG . 18523 1 244 . 1 1 23 23 LYS CD C 13 29.174 0.03 . 1 . . 973 . . 23 LYS CD . 18523 1 245 . 1 1 23 23 LYS CE C 13 42.448 0.03 . 1 . . 974 . . 23 LYS CE . 18523 1 246 . 1 1 23 23 LYS N N 15 120.243 0.032 . 1 . . 4 . . 23 LYS N . 18523 1 247 . 1 1 24 24 SER H H 1 8.258 0.011 . 1 . . 61 . . 24 SER H . 18523 1 248 . 1 1 24 24 SER HA H 1 4.473 0.014 . 1 . . 524 . . 24 SER HA . 18523 1 249 . 1 1 24 24 SER HB2 H 1 3.891 0.006 . 1 . . 529 . . 24 SER HB2 . 18523 1 250 . 1 1 24 24 SER HB3 H 1 4.059 0.005 . 1 . . 528 . . 24 SER HB3 . 18523 1 251 . 1 1 24 24 SER C C 13 175.763 0.015 . 1 . . 341 . . 24 SER C . 18523 1 252 . 1 1 24 24 SER CA C 13 58.374 0.022 . 1 . . 346 . . 24 SER CA . 18523 1 253 . 1 1 24 24 SER CB C 13 63.839 0.037 . 1 . . 340 . . 24 SER CB . 18523 1 254 . 1 1 24 24 SER N N 15 116.955 0.059 . 1 . . 62 . . 24 SER N . 18523 1 255 . 1 1 25 25 TYR H H 1 8.124 0.008 . 1 . . 124 . . 25 TYR H . 18523 1 256 . 1 1 25 25 TYR HA H 1 4.351 0.004 . 1 . . 572 . . 25 TYR HA . 18523 1 257 . 1 1 25 25 TYR HB2 H 1 2.995 0.009 . 1 . . 573 . . 25 TYR HB2 . 18523 1 258 . 1 1 25 25 TYR HB3 H 1 2.996 0.008 . 1 . . 574 . . 25 TYR HB3 . 18523 1 259 . 1 1 25 25 TYR HD1 H 1 7.121 0.003 . 3 . . 1121 . . 25 TYR HD1 . 18523 1 260 . 1 1 25 25 TYR HD2 H 1 7.121 0.003 . 3 . . 1121 . . 25 TYR HD2 . 18523 1 261 . 1 1 25 25 TYR HE1 H 1 6.828 0.002 . 3 . . 1133 . . 25 TYR HE1 . 18523 1 262 . 1 1 25 25 TYR HE2 H 1 6.828 0.002 . 3 . . 1133 . . 25 TYR HE2 . 18523 1 263 . 1 1 25 25 TYR C C 13 177.750 0.008 . 1 . . 343 . . 25 TYR C . 18523 1 264 . 1 1 25 25 TYR CA C 13 61.077 0.065 . 1 . . 347 . . 25 TYR CA . 18523 1 265 . 1 1 25 25 TYR CB C 13 38.014 0.036 . 1 . . 342 . . 25 TYR CB . 18523 1 266 . 1 1 25 25 TYR CD1 C 13 133.204 0.062 . 3 . . 1127 . . 25 TYR CD1 . 18523 1 267 . 1 1 25 25 TYR CD2 C 13 133.204 0.062 . 3 . . 1127 . . 25 TYR CD2 . 18523 1 268 . 1 1 25 25 TYR CE1 C 13 119.035 0.148 . 3 . . 1134 . . 25 TYR CE1 . 18523 1 269 . 1 1 25 25 TYR CE2 C 13 119.035 0.148 . 3 . . 1134 . . 25 TYR CE2 . 18523 1 270 . 1 1 25 25 TYR N N 15 121.832 0.03 . 1 . . 125 . . 25 TYR N . 18523 1 271 . 1 1 26 26 ALA H H 1 8.175 0.006 . 1 . . 106 . . 26 ALA H . 18523 1 272 . 1 1 26 26 ALA HA H 1 4.034 0.007 . 1 . . 575 . . 26 ALA HA . 18523 1 273 . 1 1 26 26 ALA HB1 H 1 1.476 0.029 . 1 . . 576 . . 26 ALA HB1 . 18523 1 274 . 1 1 26 26 ALA HB2 H 1 1.476 0.029 . 1 . . 576 . . 26 ALA HB2 . 18523 1 275 . 1 1 26 26 ALA HB3 H 1 1.476 0.029 . 1 . . 576 . . 26 ALA HB3 . 18523 1 276 . 1 1 26 26 ALA C C 13 178.996 0.019 . 1 . . 369 . . 26 ALA C . 18523 1 277 . 1 1 26 26 ALA CA C 13 55.678 0.024 . 1 . . 348 . . 26 ALA CA . 18523 1 278 . 1 1 26 26 ALA CB C 13 18.553 0.029 . 1 . . 344 . . 26 ALA CB . 18523 1 279 . 1 1 26 26 ALA N N 15 120.938 0.044 . 1 . . 107 . . 26 ALA N . 18523 1 280 . 1 1 27 27 GLU H H 1 7.863 0.011 . 1 . . 181 . . 27 GLU H . 18523 1 281 . 1 1 27 27 GLU HA H 1 4.002 0.014 . 1 . . 579 . . 27 GLU HA . 18523 1 282 . 1 1 27 27 GLU HB2 H 1 2.058 0.008 . 1 . . 577 . . 27 GLU HB2 . 18523 1 283 . 1 1 27 27 GLU HB3 H 1 2.119 0.014 . 1 . . 578 . . 27 GLU HB3 . 18523 1 284 . 1 1 27 27 GLU HG2 H 1 2.295 0.019 . 1 . . 976 . . 27 GLU HG2 . 18523 1 285 . 1 1 27 27 GLU HG3 H 1 2.441 0.032 . 1 . . 975 . . 27 GLU HG3 . 18523 1 286 . 1 1 27 27 GLU C C 13 179.099 0.002 . 1 . . 370 . . 27 GLU C . 18523 1 287 . 1 1 27 27 GLU CA C 13 59.600 0.048 . 1 . . 352 . . 27 GLU CA . 18523 1 288 . 1 1 27 27 GLU CB C 13 29.518 0.089 . 1 . . 350 . . 27 GLU CB . 18523 1 289 . 1 1 27 27 GLU CG C 13 36.261 0.018 . 1 . . 977 . . 27 GLU CG . 18523 1 290 . 1 1 27 27 GLU N N 15 117.183 0.025 . 1 . . 182 . . 27 GLU N . 18523 1 291 . 1 1 28 28 GLN H H 1 8.099 0.009 . 1 . . 91 . . 28 GLN H . 18523 1 292 . 1 1 28 28 GLN HA H 1 4.154 0.004 . 1 . . 580 . . 28 GLN HA . 18523 1 293 . 1 1 28 28 GLN HB2 H 1 2.168 0.006 . 1 . . 582 . . 28 GLN HB2 . 18523 1 294 . 1 1 28 28 GLN HB3 H 1 2.168 0.006 . 1 . . 581 . . 28 GLN HB3 . 18523 1 295 . 1 1 28 28 GLN HG2 H 1 2.357 0.007 . 1 . . 978 . . 28 GLN HG2 . 18523 1 296 . 1 1 28 28 GLN HG3 H 1 2.454 0.006 . 1 . . 979 . . 28 GLN HG3 . 18523 1 297 . 1 1 28 28 GLN HE21 H 1 6.648 0.003 . 1 . . 89 . . 28 GLN HE21 . 18523 1 298 . 1 1 28 28 GLN HE22 H 1 7.027 0.003 . 1 . . 148 . . 28 GLN HE22 . 18523 1 299 . 1 1 28 28 GLN C C 13 179.164 0.006 . 1 . . 349 . . 28 GLN C . 18523 1 300 . 1 1 28 28 GLN CA C 13 58.998 0.027 . 1 . . 353 . . 28 GLN CA . 18523 1 301 . 1 1 28 28 GLN CB C 13 29.329 0.081 . 1 . . 351 . . 28 GLN CB . 18523 1 302 . 1 1 28 28 GLN CG C 13 34.801 0.026 . 1 . . 980 . . 28 GLN CG . 18523 1 303 . 1 1 28 28 GLN N N 15 118.430 0.03 . 1 . . 92 . . 28 GLN N . 18523 1 304 . 1 1 28 28 GLN NE2 N 15 110.328 0.02 . 1 . . 90 . . 28 GLN NE2 . 18523 1 305 . 1 1 29 29 GLY H H 1 8.731 0.006 . 1 . . 240 . . 29 GLY H . 18523 1 306 . 1 1 29 29 GLY HA2 H 1 3.661 0.004 . 1 . . 531 . . 29 GLY HA2 . 18523 1 307 . 1 1 29 29 GLY HA3 H 1 3.856 0.006 . 1 . . 530 . . 29 GLY HA3 . 18523 1 308 . 1 1 29 29 GLY C C 13 174.515 0.006 . 1 . . 354 . . 29 GLY C . 18523 1 309 . 1 1 29 29 GLY CA C 13 47.758 0.026 . 1 . . 355 . . 29 GLY CA . 18523 1 310 . 1 1 29 29 GLY N N 15 107.752 0.039 . 1 . . 241 . . 29 GLY N . 18523 1 311 . 1 1 30 30 LYS H H 1 8.351 0.006 . 1 . . 214 . . 30 LYS H . 18523 1 312 . 1 1 30 30 LYS HA H 1 3.931 0.007 . 1 . . 583 . . 30 LYS HA . 18523 1 313 . 1 1 30 30 LYS HB2 H 1 1.931 0.023 . 1 . . 584 . . 30 LYS HB2 . 18523 1 314 . 1 1 30 30 LYS HB3 H 1 2.003 0.011 . 1 . . 585 . . 30 LYS HB3 . 18523 1 315 . 1 1 30 30 LYS HG2 H 1 1.394 0.005 . 1 . . 983 . . 30 LYS HG2 . 18523 1 316 . 1 1 30 30 LYS HG3 H 1 1.549 0.006 . 1 . . 984 . . 30 LYS HG3 . 18523 1 317 . 1 1 30 30 LYS HD2 H 1 1.725 0.01 . 1 . . 981 . . 30 LYS HD2 . 18523 1 318 . 1 1 30 30 LYS HD3 H 1 1.725 0.01 . 1 . . 982 . . 30 LYS HD3 . 18523 1 319 . 1 1 30 30 LYS HE2 H 1 2.933 0.004 . 1 . . 986 . . 30 LYS HE2 . 18523 1 320 . 1 1 30 30 LYS HE3 H 1 2.933 0.004 . 1 . . 987 . . 30 LYS HE3 . 18523 1 321 . 1 1 30 30 LYS C C 13 178.975 0.001 . 1 . . 357 . . 30 LYS C . 18523 1 322 . 1 1 30 30 LYS CA C 13 60.582 0.047 . 1 . . 358 . . 30 LYS CA . 18523 1 323 . 1 1 30 30 LYS CB C 13 32.522 0.05 . 1 . . 356 . . 30 LYS CB . 18523 1 324 . 1 1 30 30 LYS CG C 13 25.758 0.061 . 1 . . 985 . . 30 LYS CG . 18523 1 325 . 1 1 30 30 LYS CD C 13 29.595 0.089 . 1 . . 988 . . 30 LYS CD . 18523 1 326 . 1 1 30 30 LYS CE C 13 42.391 0.014 . 1 . . 989 . . 30 LYS CE . 18523 1 327 . 1 1 30 30 LYS N N 15 121.223 0.032 . 1 . . 215 . . 30 LYS N . 18523 1 328 . 1 1 31 31 GLU H H 1 8.046 0.009 . 1 . . 114 . . 31 GLU H . 18523 1 329 . 1 1 31 31 GLU HA H 1 4.013 0.009 . 1 . . 586 . . 31 GLU HA . 18523 1 330 . 1 1 31 31 GLU HB2 H 1 2.133 0.01 . 1 . . 587 . . 31 GLU HB2 . 18523 1 331 . 1 1 31 31 GLU HB3 H 1 2.132 0.01 . 1 . . 588 . . 31 GLU HB3 . 18523 1 332 . 1 1 31 31 GLU HG2 H 1 2.291 0.004 . 1 . . 990 . . 31 GLU HG2 . 18523 1 333 . 1 1 31 31 GLU HG3 H 1 2.441 0.013 . 1 . . 991 . . 31 GLU HG3 . 18523 1 334 . 1 1 31 31 GLU C C 13 178.122 0.015 . 1 . . 360 . . 31 GLU C . 18523 1 335 . 1 1 31 31 GLU CA C 13 59.704 0.057 . 1 . . 361 . . 31 GLU CA . 18523 1 336 . 1 1 31 31 GLU CB C 13 29.332 0.019 . 1 . . 359 . . 31 GLU CB . 18523 1 337 . 1 1 31 31 GLU CG C 13 36.234 0.007 . 1 . . 992 . . 31 GLU CG . 18523 1 338 . 1 1 31 31 GLU N N 15 119.717 0.033 . 1 . . 115 . . 31 GLU N . 18523 1 339 . 1 1 32 32 TYR H H 1 8.010 0.009 . 1 . . 53 . . 32 TYR H . 18523 1 340 . 1 1 32 32 TYR HA H 1 4.245 0.006 . 1 . . 589 . . 32 TYR HA . 18523 1 341 . 1 1 32 32 TYR HB2 H 1 3.206 0.005 . 1 . . 591 . . 32 TYR HB2 . 18523 1 342 . 1 1 32 32 TYR HB3 H 1 3.206 0.005 . 1 . . 590 . . 32 TYR HB3 . 18523 1 343 . 1 1 32 32 TYR HD1 H 1 7.053 0.004 . 3 . . 1126 . . 32 TYR HD1 . 18523 1 344 . 1 1 32 32 TYR HD2 H 1 7.053 0.004 . 3 . . 1126 . . 32 TYR HD2 . 18523 1 345 . 1 1 32 32 TYR HE1 H 1 6.737 0.004 . 3 . . 1139 . . 32 TYR HE1 . 18523 1 346 . 1 1 32 32 TYR HE2 H 1 6.737 0.004 . 3 . . 1139 . . 32 TYR HE2 . 18523 1 347 . 1 1 32 32 TYR C C 13 178.086 0.01 . 1 . . 363 . . 32 TYR C . 18523 1 348 . 1 1 32 32 TYR CA C 13 61.917 0.033 . 1 . . 367 . . 32 TYR CA . 18523 1 349 . 1 1 32 32 TYR CB C 13 39.165 0.047 . 1 . . 362 . . 32 TYR CB . 18523 1 350 . 1 1 32 32 TYR CD1 C 13 133.747 0.044 . 3 . . 1130 . . 32 TYR CD1 . 18523 1 351 . 1 1 32 32 TYR CD2 C 13 133.747 0.044 . 3 . . 1130 . . 32 TYR CD2 . 18523 1 352 . 1 1 32 32 TYR CE1 C 13 118.609 . . 3 . . 1140 . . 32 TYR CE1 . 18523 1 353 . 1 1 32 32 TYR CE2 C 13 118.609 . . 3 . . 1140 . . 32 TYR CE2 . 18523 1 354 . 1 1 32 32 TYR N N 15 119.711 0.026 . 1 . . 54 . . 32 TYR N . 18523 1 355 . 1 1 33 33 ILE H H 1 8.195 0.007 . 1 . . 83 . . 33 ILE H . 18523 1 356 . 1 1 33 33 ILE HA H 1 3.767 0.004 . 1 . . 592 . . 33 ILE HA . 18523 1 357 . 1 1 33 33 ILE HB H 1 2.048 0.004 . 1 . . 593 . . 33 ILE HB . 18523 1 358 . 1 1 33 33 ILE HG12 H 1 1.393 0.007 . 1 . . 994 . . 33 ILE HG12 . 18523 1 359 . 1 1 33 33 ILE HG13 H 1 1.807 0.005 . 1 . . 993 . . 33 ILE HG13 . 18523 1 360 . 1 1 33 33 ILE HG21 H 1 0.976 0.01 . 1 . . 998 . . 33 ILE HG21 . 18523 1 361 . 1 1 33 33 ILE HG22 H 1 0.976 0.01 . 1 . . 998 . . 33 ILE HG22 . 18523 1 362 . 1 1 33 33 ILE HG23 H 1 0.976 0.01 . 1 . . 998 . . 33 ILE HG23 . 18523 1 363 . 1 1 33 33 ILE HD11 H 1 0.902 0.01 . 1 . . 996 . . 33 ILE HD11 . 18523 1 364 . 1 1 33 33 ILE HD12 H 1 0.902 0.01 . 1 . . 996 . . 33 ILE HD12 . 18523 1 365 . 1 1 33 33 ILE HD13 H 1 0.902 0.01 . 1 . . 996 . . 33 ILE HD13 . 18523 1 366 . 1 1 33 33 ILE C C 13 177.582 0.001 . 1 . . 365 . . 33 ILE C . 18523 1 367 . 1 1 33 33 ILE CA C 13 64.214 0.034 . 1 . . 366 . . 33 ILE CA . 18523 1 368 . 1 1 33 33 ILE CB C 13 38.224 0.047 . 1 . . 364 . . 33 ILE CB . 18523 1 369 . 1 1 33 33 ILE CG1 C 13 29.161 0.028 . 1 . . 999 . . 33 ILE CG1 . 18523 1 370 . 1 1 33 33 ILE CG2 C 13 18.238 0.033 . 1 . . 997 . . 33 ILE CG2 . 18523 1 371 . 1 1 33 33 ILE CD1 C 13 13.328 0.024 . 1 . . 995 . . 33 ILE CD1 . 18523 1 372 . 1 1 33 33 ILE N N 15 116.722 0.04 . 1 . . 84 . . 33 ILE N . 18523 1 373 . 1 1 34 34 THR H H 1 8.212 0.006 . 1 . . 146 . . 34 THR H . 18523 1 374 . 1 1 34 34 THR HA H 1 3.902 0.004 . 1 . . 533 . . 34 THR HA . 18523 1 375 . 1 1 34 34 THR HB H 1 4.276 0.005 . 1 . . 532 . . 34 THR HB . 18523 1 376 . 1 1 34 34 THR HG21 H 1 1.285 0.017 . 1 . . 1000 . . 34 THR HG21 . 18523 1 377 . 1 1 34 34 THR HG22 H 1 1.285 0.017 . 1 . . 1000 . . 34 THR HG22 . 18523 1 378 . 1 1 34 34 THR HG23 H 1 1.285 0.017 . 1 . . 1000 . . 34 THR HG23 . 18523 1 379 . 1 1 34 34 THR C C 13 176.573 0.02 . 1 . . 372 . . 34 THR C . 18523 1 380 . 1 1 34 34 THR CA C 13 66.631 0.05 . 1 . . 375 . . 34 THR CA . 18523 1 381 . 1 1 34 34 THR CB C 13 68.954 0.023 . 1 . . 371 . . 34 THR CB . 18523 1 382 . 1 1 34 34 THR CG2 C 13 22.021 0.022 . 1 . . 1001 . . 34 THR CG2 . 18523 1 383 . 1 1 34 34 THR N N 15 114.020 0.035 . 1 . . 147 . . 34 THR N . 18523 1 384 . 1 1 35 35 ASP H H 1 7.827 0.006 . 1 . . 177 . . 35 ASP H . 18523 1 385 . 1 1 35 35 ASP HA H 1 4.476 0.006 . 1 . . 594 . . 35 ASP HA . 18523 1 386 . 1 1 35 35 ASP HB2 H 1 2.633 0.026 . 1 . . 595 . . 35 ASP HB2 . 18523 1 387 . 1 1 35 35 ASP HB3 H 1 2.825 0.005 . 1 . . 596 . . 35 ASP HB3 . 18523 1 388 . 1 1 35 35 ASP C C 13 177.940 0.01 . 1 . . 373 . . 35 ASP C . 18523 1 389 . 1 1 35 35 ASP CA C 13 57.126 0.074 . 1 . . 376 . . 35 ASP CA . 18523 1 390 . 1 1 35 35 ASP CB C 13 41.776 0.042 . 1 . . 374 . . 35 ASP CB . 18523 1 391 . 1 1 35 35 ASP N N 15 120.959 0.031 . 1 . . 178 . . 35 ASP N . 18523 1 392 . 1 1 36 36 LYS H H 1 7.616 0.006 . 1 . . 108 . . 36 LYS H . 18523 1 393 . 1 1 36 36 LYS HA H 1 4.135 0.006 . 1 . . 597 . . 36 LYS HA . 18523 1 394 . 1 1 36 36 LYS HB2 H 1 1.770 0.012 . 1 . . 598 . . 36 LYS HB2 . 18523 1 395 . 1 1 36 36 LYS HB3 H 1 1.800 0.011 . 1 . . 599 . . 36 LYS HB3 . 18523 1 396 . 1 1 36 36 LYS HG2 H 1 1.213 0.013 . 1 . . 1429 . . 36 LYS HG2 . 18523 1 397 . 1 1 36 36 LYS HG3 H 1 1.431 0.006 . 1 . . 1432 . . 36 LYS HG3 . 18523 1 398 . 1 1 36 36 LYS HD2 H 1 1.455 0.007 . 1 . . 1427 . . 36 LYS HD2 . 18523 1 399 . 1 1 36 36 LYS HD3 H 1 1.455 0.007 . 1 . . 1428 . . 36 LYS HD3 . 18523 1 400 . 1 1 36 36 LYS HE2 H 1 2.675 0.004 . 1 . . 1433 . . 36 LYS HE2 . 18523 1 401 . 1 1 36 36 LYS HE3 H 1 2.924 0.007 . 1 . . 1434 . . 36 LYS HE3 . 18523 1 402 . 1 1 36 36 LYS C C 13 177.995 0.017 . 1 . . 377 . . 36 LYS C . 18523 1 403 . 1 1 36 36 LYS CA C 13 57.033 0.064 . 1 . . 379 . . 36 LYS CA . 18523 1 404 . 1 1 36 36 LYS CB C 13 32.008 0.051 . 1 . . 378 . . 36 LYS CB . 18523 1 405 . 1 1 36 36 LYS CG C 13 24.420 0.041 . 1 . . 1430 . . 36 LYS CG . 18523 1 406 . 1 1 36 36 LYS CD C 13 27.830 0.027 . 1 . . 1431 . . 36 LYS CD . 18523 1 407 . 1 1 36 36 LYS CE C 13 42.681 0.074 . 1 . . 1435 . . 36 LYS CE . 18523 1 408 . 1 1 36 36 LYS N N 15 116.277 0.029 . 1 . . 109 . . 36 LYS N . 18523 1 409 . 1 1 37 37 ALA H H 1 8.259 0.005 . 1 . . 197 . . 37 ALA H . 18523 1 410 . 1 1 37 37 ALA HA H 1 3.976 0.005 . 1 . . 600 . . 37 ALA HA . 18523 1 411 . 1 1 37 37 ALA HB1 H 1 1.465 0.03 . 1 . . 601 . . 37 ALA HB1 . 18523 1 412 . 1 1 37 37 ALA HB2 H 1 1.465 0.03 . 1 . . 601 . . 37 ALA HB2 . 18523 1 413 . 1 1 37 37 ALA HB3 H 1 1.465 0.03 . 1 . . 601 . . 37 ALA HB3 . 18523 1 414 . 1 1 37 37 ALA C C 13 178.806 0.0 . 1 . . 380 . . 37 ALA C . 18523 1 415 . 1 1 37 37 ALA CA C 13 55.485 0.048 . 1 . . 382 . . 37 ALA CA . 18523 1 416 . 1 1 37 37 ALA CB C 13 18.584 0.028 . 1 . . 381 . . 37 ALA CB . 18523 1 417 . 1 1 37 37 ALA N N 15 121.399 0.034 . 1 . . 198 . . 37 ALA N . 18523 1 418 . 1 1 38 38 ASP H H 1 7.989 0.013 . 1 . . 162 . . 38 ASP H . 18523 1 419 . 1 1 38 38 ASP HA H 1 4.381 0.004 . 1 . . 604 . . 38 ASP HA . 18523 1 420 . 1 1 38 38 ASP HB2 H 1 2.694 0.006 . 1 . . 602 . . 38 ASP HB2 . 18523 1 421 . 1 1 38 38 ASP HB3 H 1 2.795 0.024 . 1 . . 603 . . 38 ASP HB3 . 18523 1 422 . 1 1 38 38 ASP C C 13 178.326 0.048 . 1 . . 387 . . 38 ASP C . 18523 1 423 . 1 1 38 38 ASP CA C 13 56.836 0.043 . 1 . . 384 . . 38 ASP CA . 18523 1 424 . 1 1 38 38 ASP CB C 13 40.977 0.039 . 1 . . 383 . . 38 ASP CB . 18523 1 425 . 1 1 38 38 ASP N N 15 116.258 0.054 . 1 . . 163 . . 38 ASP N . 18523 1 426 . 1 1 39 39 LYS H H 1 7.690 0.011 . 1 . . 151 . . 39 LYS H . 18523 1 427 . 1 1 39 39 LYS HA H 1 4.120 0.005 . 1 . . 605 . . 39 LYS HA . 18523 1 428 . 1 1 39 39 LYS HB2 H 1 1.939 0.01 . 1 . . 606 . . 39 LYS HB2 . 18523 1 429 . 1 1 39 39 LYS HB3 H 1 1.946 0.007 . 1 . . 607 . . 39 LYS HB3 . 18523 1 430 . 1 1 39 39 LYS HE2 H 1 3.002 0.0 . 1 . . 1002 . . 39 LYS HE2 . 18523 1 431 . 1 1 39 39 LYS HE3 H 1 3.002 0.0 . 1 . . 1003 . . 39 LYS HE3 . 18523 1 432 . 1 1 39 39 LYS C C 13 178.609 . . 1 . . 388 . . 39 LYS C . 18523 1 433 . 1 1 39 39 LYS CA C 13 58.439 0.034 . 1 . . 386 . . 39 LYS CA . 18523 1 434 . 1 1 39 39 LYS CB C 13 32.756 0.045 . 1 . . 385 . . 39 LYS CB . 18523 1 435 . 1 1 39 39 LYS N N 15 118.504 0.039 . 1 . . 152 . . 39 LYS N . 18523 1 436 . 1 1 40 40 VAL H H 1 7.731 0.008 . 1 . . 128 . . 40 VAL H . 18523 1 437 . 1 1 40 40 VAL HA H 1 3.888 0.005 . 1 . . 608 . . 40 VAL HA . 18523 1 438 . 1 1 40 40 VAL HB H 1 2.179 0.005 . 1 . . 609 . . 40 VAL HB . 18523 1 439 . 1 1 40 40 VAL HG11 H 1 0.929 0.005 . 1 . . 1005 . . 40 VAL HG11 . 18523 1 440 . 1 1 40 40 VAL HG12 H 1 0.929 0.005 . 1 . . 1005 . . 40 VAL HG12 . 18523 1 441 . 1 1 40 40 VAL HG13 H 1 0.929 0.005 . 1 . . 1005 . . 40 VAL HG13 . 18523 1 442 . 1 1 40 40 VAL HG21 H 1 1.001 0.006 . 1 . . 1006 . . 40 VAL HG21 . 18523 1 443 . 1 1 40 40 VAL HG22 H 1 1.001 0.006 . 1 . . 1006 . . 40 VAL HG22 . 18523 1 444 . 1 1 40 40 VAL HG23 H 1 1.001 0.006 . 1 . . 1006 . . 40 VAL HG23 . 18523 1 445 . 1 1 40 40 VAL C C 13 176.685 0.008 . 1 . . 390 . . 40 VAL C . 18523 1 446 . 1 1 40 40 VAL CA C 13 64.553 0.042 . 1 . . 391 . . 40 VAL CA . 18523 1 447 . 1 1 40 40 VAL CB C 13 32.440 0.07 . 1 . . 389 . . 40 VAL CB . 18523 1 448 . 1 1 40 40 VAL CG1 C 13 22.031 0.027 . 1 . . 1004 . . 40 VAL CG1 . 18523 1 449 . 1 1 40 40 VAL CG2 C 13 22.129 0.019 . 1 . . 1007 . . 40 VAL CG2 . 18523 1 450 . 1 1 40 40 VAL N N 15 116.008 0.059 . 1 . . 129 . . 40 VAL N . 18523 1 451 . 1 1 41 41 ALA H H 1 8.045 0.007 . 1 . . 199 . . 41 ALA H . 18523 1 452 . 1 1 41 41 ALA HA H 1 4.089 0.01 . 1 . . 610 . . 41 ALA HA . 18523 1 453 . 1 1 41 41 ALA HB1 H 1 1.462 0.009 . 1 . . 611 . . 41 ALA HB1 . 18523 1 454 . 1 1 41 41 ALA HB2 H 1 1.462 0.009 . 1 . . 611 . . 41 ALA HB2 . 18523 1 455 . 1 1 41 41 ALA HB3 H 1 1.462 0.009 . 1 . . 611 . . 41 ALA HB3 . 18523 1 456 . 1 1 41 41 ALA C C 13 179.134 0.004 . 1 . . 392 . . 41 ALA C . 18523 1 457 . 1 1 41 41 ALA CA C 13 54.737 0.04 . 1 . . 321 . . 41 ALA CA . 18523 1 458 . 1 1 41 41 ALA CB C 13 18.688 0.021 . 1 . . 320 . . 41 ALA CB . 18523 1 459 . 1 1 41 41 ALA N N 15 122.332 0.032 . 1 . . 200 . . 41 ALA N . 18523 1 460 . 1 1 42 42 GLY H H 1 7.979 0.004 . 1 . . 204 . . 42 GLY H . 18523 1 461 . 1 1 42 42 GLY HA2 H 1 3.918 0.016 . 1 . . 612 . . 42 GLY HA2 . 18523 1 462 . 1 1 42 42 GLY HA3 H 1 3.941 0.01 . 1 . . 613 . . 42 GLY HA3 . 18523 1 463 . 1 1 42 42 GLY C C 13 174.982 0.011 . 1 . . 395 . . 42 GLY C . 18523 1 464 . 1 1 42 42 GLY CA C 13 46.154 0.031 . 1 . . 393 . . 42 GLY CA . 18523 1 465 . 1 1 42 42 GLY N N 15 104.796 0.061 . 1 . . 205 . . 42 GLY N . 18523 1 466 . 1 1 43 43 LYS H H 1 7.768 0.013 . 1 . . 49 . . 43 LYS H . 18523 1 467 . 1 1 43 43 LYS HA H 1 4.325 0.01 . 1 . . 615 . . 43 LYS HA . 18523 1 468 . 1 1 43 43 LYS HB2 H 1 1.912 0.008 . 1 . . 614 . . 43 LYS HB2 . 18523 1 469 . 1 1 43 43 LYS HB3 H 1 1.912 0.008 . 1 . . 638 . . 43 LYS HB3 . 18523 1 470 . 1 1 43 43 LYS HG2 H 1 1.469 0.011 . 1 . . 1010 . . 43 LYS HG2 . 18523 1 471 . 1 1 43 43 LYS HG3 H 1 1.469 0.011 . 1 . . 1011 . . 43 LYS HG3 . 18523 1 472 . 1 1 43 43 LYS HD2 H 1 1.678 0.014 . 1 . . 1009 . . 43 LYS HD2 . 18523 1 473 . 1 1 43 43 LYS HD3 H 1 1.679 0.013 . 1 . . 1008 . . 43 LYS HD3 . 18523 1 474 . 1 1 43 43 LYS HE2 H 1 2.989 0.011 . 1 . . 1012 . . 43 LYS HE2 . 18523 1 475 . 1 1 43 43 LYS HE3 H 1 2.989 0.011 . 1 . . 1013 . . 43 LYS HE3 . 18523 1 476 . 1 1 43 43 LYS C C 13 176.625 0.011 . 1 . . 396 . . 43 LYS C . 18523 1 477 . 1 1 43 43 LYS CA C 13 56.907 0.054 . 1 . . 394 . . 43 LYS CA . 18523 1 478 . 1 1 43 43 LYS CB C 13 33.510 0.029 . 1 . . 397 . . 43 LYS CB . 18523 1 479 . 1 1 43 43 LYS CG C 13 25.186 0.095 . 1 . . 1014 . . 43 LYS CG . 18523 1 480 . 1 1 43 43 LYS CD C 13 29.087 0.063 . 1 . . 1015 . . 43 LYS CD . 18523 1 481 . 1 1 43 43 LYS CE C 13 42.473 0.042 . 1 . . 1016 . . 43 LYS CE . 18523 1 482 . 1 1 43 43 LYS N N 15 118.957 0.026 . 1 . . 50 . . 43 LYS N . 18523 1 483 . 1 1 44 44 VAL H H 1 7.574 0.003 . 1 . . 185 . . 44 VAL H . 18523 1 484 . 1 1 44 44 VAL HA H 1 4.121 0.004 . 1 . . 616 . . 44 VAL HA . 18523 1 485 . 1 1 44 44 VAL HB H 1 2.143 0.003 . 1 . . 617 . . 44 VAL HB . 18523 1 486 . 1 1 44 44 VAL HG11 H 1 0.904 0.009 . 1 . . 1018 . . 44 VAL HG11 . 18523 1 487 . 1 1 44 44 VAL HG12 H 1 0.904 0.009 . 1 . . 1018 . . 44 VAL HG12 . 18523 1 488 . 1 1 44 44 VAL HG13 H 1 0.904 0.009 . 1 . . 1018 . . 44 VAL HG13 . 18523 1 489 . 1 1 44 44 VAL HG21 H 1 0.931 0.006 . 1 . . 1020 . . 44 VAL HG21 . 18523 1 490 . 1 1 44 44 VAL HG22 H 1 0.931 0.006 . 1 . . 1020 . . 44 VAL HG22 . 18523 1 491 . 1 1 44 44 VAL HG23 H 1 0.931 0.006 . 1 . . 1020 . . 44 VAL HG23 . 18523 1 492 . 1 1 44 44 VAL C C 13 174.938 0.011 . 1 . . 399 . . 44 VAL C . 18523 1 493 . 1 1 44 44 VAL CA C 13 62.472 0.026 . 1 . . 400 . . 44 VAL CA . 18523 1 494 . 1 1 44 44 VAL CB C 13 32.732 0.055 . 1 . . 398 . . 44 VAL CB . 18523 1 495 . 1 1 44 44 VAL CG1 C 13 21.785 0.024 . 1 . . 1017 . . 44 VAL CG1 . 18523 1 496 . 1 1 44 44 VAL CG2 C 13 20.980 0.026 . 1 . . 1019 . . 44 VAL CG2 . 18523 1 497 . 1 1 44 44 VAL N N 15 116.063 0.043 . 1 . . 186 . . 44 VAL N . 18523 1 498 . 1 1 45 45 GLN H H 1 8.058 0.007 . 1 . . 220 . . 45 GLN H . 18523 1 499 . 1 1 45 45 GLN HA H 1 4.629 0.01 . 1 . . 685 . . 45 GLN HA . 18523 1 500 . 1 1 45 45 GLN HB2 H 1 1.953 0.009 . 1 . . 683 . . 45 GLN HB2 . 18523 1 501 . 1 1 45 45 GLN HB3 H 1 2.085 0.014 . 1 . . 684 . . 45 GLN HB3 . 18523 1 502 . 1 1 45 45 GLN HG2 H 1 2.318 0.003 . 1 . . 1022 . . 45 GLN HG2 . 18523 1 503 . 1 1 45 45 GLN HG3 H 1 2.318 0.003 . 1 . . 1021 . . 45 GLN HG3 . 18523 1 504 . 1 1 45 45 GLN C C 13 173.874 . . 1 . . 402 . . 45 GLN C . 18523 1 505 . 1 1 45 45 GLN CA C 13 53.874 0.037 . 1 . . 618 . . 45 GLN CA . 18523 1 506 . 1 1 45 45 GLN CB C 13 29.451 0.04 . 1 . . 401 . . 45 GLN CB . 18523 1 507 . 1 1 45 45 GLN CG C 13 34.016 0.019 . 1 . . 1023 . . 45 GLN CG . 18523 1 508 . 1 1 45 45 GLN N N 15 121.794 0.034 . 1 . . 221 . . 45 GLN N . 18523 1 509 . 1 1 46 46 PRO HA H 1 4.414 0.006 . 1 . . 791 . . 46 PRO HA . 18523 1 510 . 1 1 46 46 PRO HB2 H 1 1.958 0.01 . 1 . . 793 . . 46 PRO HB2 . 18523 1 511 . 1 1 46 46 PRO HB3 H 1 2.258 0.006 . 1 . . 794 . . 46 PRO HB3 . 18523 1 512 . 1 1 46 46 PRO HG2 H 1 1.938 0.031 . 1 . . 1026 . . 46 PRO HG2 . 18523 1 513 . 1 1 46 46 PRO HG3 H 1 2.015 0.019 . 1 . . 1027 . . 46 PRO HG3 . 18523 1 514 . 1 1 46 46 PRO HD2 H 1 3.699 0.007 . 1 . . 1025 . . 46 PRO HD2 . 18523 1 515 . 1 1 46 46 PRO HD3 H 1 3.699 0.007 . 1 . . 1024 . . 46 PRO HD3 . 18523 1 516 . 1 1 46 46 PRO C C 13 177.326 0.007 . 1 . . 795 . . 46 PRO C . 18523 1 517 . 1 1 46 46 PRO CA C 13 63.963 0.023 . 1 . . 796 . . 46 PRO CA . 18523 1 518 . 1 1 46 46 PRO CB C 13 32.314 0.037 . 1 . . 797 . . 46 PRO CB . 18523 1 519 . 1 1 46 46 PRO CG C 13 27.601 0.015 . 1 . . 1029 . . 46 PRO CG . 18523 1 520 . 1 1 46 46 PRO CD C 13 50.800 0.023 . 1 . . 1028 . . 46 PRO CD . 18523 1 521 . 1 1 47 47 GLU H H 1 8.407 0.002 . 1 . . 206 . . 47 GLU H . 18523 1 522 . 1 1 47 47 GLU HA H 1 4.191 0.005 . 1 . . 789 . . 47 GLU HA . 18523 1 523 . 1 1 47 47 GLU HB2 H 1 1.949 0.006 . 1 . . 792 . . 47 GLU HB2 . 18523 1 524 . 1 1 47 47 GLU HB3 H 1 2.032 0.004 . 1 . . 790 . . 47 GLU HB3 . 18523 1 525 . 1 1 47 47 GLU HG2 H 1 2.260 0.007 . 1 . . 1030 . . 47 GLU HG2 . 18523 1 526 . 1 1 47 47 GLU HG3 H 1 2.260 0.007 . 1 . . 1031 . . 47 GLU HG3 . 18523 1 527 . 1 1 47 47 GLU C C 13 176.467 0.013 . 1 . . 473 . . 47 GLU C . 18523 1 528 . 1 1 47 47 GLU CA C 13 57.556 0.031 . 1 . . 788 . . 47 GLU CA . 18523 1 529 . 1 1 47 47 GLU CB C 13 30.326 0.051 . 1 . . 472 . . 47 GLU CB . 18523 1 530 . 1 1 47 47 GLU CG C 13 36.296 0.002 . 1 . . 1032 . . 47 GLU CG . 18523 1 531 . 1 1 47 47 GLU N N 15 119.307 0.035 . 1 . . 207 . . 47 GLU N . 18523 1 532 . 1 1 48 48 ASP H H 1 8.074 0.006 . 1 . . 65 . . 48 ASP H . 18523 1 533 . 1 1 48 48 ASP HA H 1 4.560 0.013 . 1 . . 786 . . 48 ASP HA . 18523 1 534 . 1 1 48 48 ASP HB2 H 1 2.596 0.003 . 1 . . 785 . . 48 ASP HB2 . 18523 1 535 . 1 1 48 48 ASP HB3 H 1 2.703 0.005 . 1 . . 787 . . 48 ASP HB3 . 18523 1 536 . 1 1 48 48 ASP C C 13 175.850 0.007 . 1 . . 474 . . 48 ASP C . 18523 1 537 . 1 1 48 48 ASP CA C 13 54.766 0.05 . 1 . . 784 . . 48 ASP CA . 18523 1 538 . 1 1 48 48 ASP CB C 13 41.302 0.029 . 1 . . 475 . . 48 ASP CB . 18523 1 539 . 1 1 48 48 ASP N N 15 118.934 0.021 . 1 . . 66 . . 48 ASP N . 18523 1 540 . 1 1 49 49 ASN H H 1 8.110 0.003 . 1 . . 41 . . 49 ASN H . 18523 1 541 . 1 1 49 49 ASN HA H 1 4.647 0.003 . 1 . . 781 . . 49 ASN HA . 18523 1 542 . 1 1 49 49 ASN HB2 H 1 2.740 0.004 . 1 . . 783 . . 49 ASN HB2 . 18523 1 543 . 1 1 49 49 ASN HB3 H 1 2.827 0.008 . 1 . . 782 . . 49 ASN HB3 . 18523 1 544 . 1 1 49 49 ASN HD21 H 1 6.772 0.001 . 1 . . 27 . . 49 ASN HD21 . 18523 1 545 . 1 1 49 49 ASN HD22 H 1 7.414 0.001 . 1 . . 93 . . 49 ASN HD22 . 18523 1 546 . 1 1 49 49 ASN C C 13 174.962 0.009 . 1 . . 476 . . 49 ASN C . 18523 1 547 . 1 1 49 49 ASN CA C 13 53.932 0.035 . 1 . . 780 . . 49 ASN CA . 18523 1 548 . 1 1 49 49 ASN CB C 13 39.241 0.029 . 1 . . 477 . . 49 ASN CB . 18523 1 549 . 1 1 49 49 ASN N N 15 117.585 0.026 . 1 . . 42 . . 49 ASN N . 18523 1 550 . 1 1 49 49 ASN ND2 N 15 112.250 0.011 . 1 . . 28 . . 49 ASN ND2 . 18523 1 551 . 1 1 50 50 LYS H H 1 8.029 0.008 . 1 . . 19 . . 50 LYS H . 18523 1 552 . 1 1 50 50 LYS HA H 1 4.275 0.023 . 1 . . 778 . . 50 LYS HA . 18523 1 553 . 1 1 50 50 LYS HB2 H 1 1.803 0.018 . 1 . . 777 . . 50 LYS HB2 . 18523 1 554 . 1 1 50 50 LYS HB3 H 1 1.841 0.021 . 1 . . 779 . . 50 LYS HB3 . 18523 1 555 . 1 1 50 50 LYS HG2 H 1 1.409 0.023 . 1 . . 1033 . . 50 LYS HG2 . 18523 1 556 . 1 1 50 50 LYS HG3 H 1 1.456 0.015 . 1 . . 1034 . . 50 LYS HG3 . 18523 1 557 . 1 1 50 50 LYS HD2 H 1 1.668 0.007 . 1 . . 1036 . . 50 LYS HD2 . 18523 1 558 . 1 1 50 50 LYS HD3 H 1 1.668 0.007 . 1 . . 1035 . . 50 LYS HD3 . 18523 1 559 . 1 1 50 50 LYS HE2 H 1 2.986 0.004 . 1 . . 1037 . . 50 LYS HE2 . 18523 1 560 . 1 1 50 50 LYS HE3 H 1 2.986 0.004 . 1 . . 1038 . . 50 LYS HE3 . 18523 1 561 . 1 1 50 50 LYS C C 13 176.971 0.015 . 1 . . 478 . . 50 LYS C . 18523 1 562 . 1 1 50 50 LYS CA C 13 56.989 0.08 . 1 . . 418 . . 50 LYS CA . 18523 1 563 . 1 1 50 50 LYS CB C 13 33.145 0.023 . 1 . . 479 . . 50 LYS CB . 18523 1 564 . 1 1 50 50 LYS CG C 13 24.953 0.019 . 1 . . 1039 . . 50 LYS CG . 18523 1 565 . 1 1 50 50 LYS CD C 13 29.347 0.016 . 1 . . 1040 . . 50 LYS CD . 18523 1 566 . 1 1 50 50 LYS CE C 13 42.518 0.018 . 1 . . 1041 . . 50 LYS CE . 18523 1 567 . 1 1 50 50 LYS N N 15 120.043 0.027 . 1 . . 20 . . 50 LYS N . 18523 1 568 . 1 1 51 51 GLY H H 1 8.225 0.005 . 1 . . 29 . . 51 GLY H . 18523 1 569 . 1 1 51 51 GLY HA2 H 1 4.014 0.003 . 1 . . 775 . . 51 GLY HA2 . 18523 1 570 . 1 1 51 51 GLY HA3 H 1 4.014 0.003 . 1 . . 776 . . 51 GLY HA3 . 18523 1 571 . 1 1 51 51 GLY C C 13 175.324 0.008 . 1 . . 417 . . 51 GLY C . 18523 1 572 . 1 1 51 51 GLY CA C 13 46.049 0.044 . 1 . . 416 . . 51 GLY CA . 18523 1 573 . 1 1 51 51 GLY N N 15 109.126 0.032 . 1 . . 30 . . 51 GLY N . 18523 1 574 . 1 1 52 52 VAL H H 1 7.876 0.009 . 1 . . 15 . . 52 VAL H . 18523 1 575 . 1 1 52 52 VAL HA H 1 3.836 0.005 . 1 . . 773 . . 52 VAL HA . 18523 1 576 . 1 1 52 52 VAL HB H 1 1.899 0.004 . 1 . . 774 . . 52 VAL HB . 18523 1 577 . 1 1 52 52 VAL HG11 H 1 0.627 0.015 . 1 . . 1043 . . 52 VAL HG11 . 18523 1 578 . 1 1 52 52 VAL HG12 H 1 0.627 0.015 . 1 . . 1043 . . 52 VAL HG12 . 18523 1 579 . 1 1 52 52 VAL HG13 H 1 0.627 0.015 . 1 . . 1043 . . 52 VAL HG13 . 18523 1 580 . 1 1 52 52 VAL HG21 H 1 0.790 0.017 . 1 . . 1042 . . 52 VAL HG21 . 18523 1 581 . 1 1 52 52 VAL HG22 H 1 0.790 0.017 . 1 . . 1042 . . 52 VAL HG22 . 18523 1 582 . 1 1 52 52 VAL HG23 H 1 0.790 0.017 . 1 . . 1042 . . 52 VAL HG23 . 18523 1 583 . 1 1 52 52 VAL C C 13 176.420 0.0 . 1 . . 412 . . 52 VAL C . 18523 1 584 . 1 1 52 52 VAL CA C 13 64.595 0.041 . 1 . . 420 . . 52 VAL CA . 18523 1 585 . 1 1 52 52 VAL CB C 13 32.282 0.05 . 1 . . 413 . . 52 VAL CB . 18523 1 586 . 1 1 52 52 VAL CG1 C 13 21.122 0.036 . 1 . . 1045 . . 52 VAL CG1 . 18523 1 587 . 1 1 52 52 VAL CG2 C 13 21.374 0.041 . 1 . . 1044 . . 52 VAL CG2 . 18523 1 588 . 1 1 52 52 VAL N N 15 119.388 0.043 . 1 . . 16 . . 52 VAL N . 18523 1 589 . 1 1 53 53 PHE H H 1 7.971 0.003 . 1 . . 187 . . 53 PHE H . 18523 1 590 . 1 1 53 53 PHE HA H 1 4.555 0.022 . 1 . . 621 . . 53 PHE HA . 18523 1 591 . 1 1 53 53 PHE HB2 H 1 3.051 0.005 . 1 . . 619 . . 53 PHE HB2 . 18523 1 592 . 1 1 53 53 PHE HB3 H 1 3.254 0.007 . 1 . . 620 . . 53 PHE HB3 . 18523 1 593 . 1 1 53 53 PHE HD1 H 1 7.251 0.007 . 3 . . 1123 . . 53 PHE HD1 . 18523 1 594 . 1 1 53 53 PHE HD2 H 1 7.251 0.007 . 3 . . 1123 . . 53 PHE HD2 . 18523 1 595 . 1 1 53 53 PHE HE1 H 1 7.235 0.005 . 3 . . 1141 . . 53 PHE HE1 . 18523 1 596 . 1 1 53 53 PHE HE2 H 1 7.235 0.005 . 3 . . 1141 . . 53 PHE HE2 . 18523 1 597 . 1 1 53 53 PHE HZ H 1 7.148 . . 1 . . 1143 . . 53 PHE HZ . 18523 1 598 . 1 1 53 53 PHE C C 13 176.570 0.008 . 1 . . 414 . . 53 PHE C . 18523 1 599 . 1 1 53 53 PHE CA C 13 59.014 0.038 . 1 . . 798 . . 53 PHE CA . 18523 1 600 . 1 1 53 53 PHE CB C 13 38.723 0.038 . 1 . . 415 . . 53 PHE CB . 18523 1 601 . 1 1 53 53 PHE CD1 C 13 132.392 0.101 . 3 . . 1131 . . 53 PHE CD1 . 18523 1 602 . 1 1 53 53 PHE CD2 C 13 132.392 0.101 . 3 . . 1131 . . 53 PHE CD2 . 18523 1 603 . 1 1 53 53 PHE CE1 C 13 131.560 . . 3 . . 1142 . . 53 PHE CE1 . 18523 1 604 . 1 1 53 53 PHE CE2 C 13 131.560 . . 3 . . 1142 . . 53 PHE CE2 . 18523 1 605 . 1 1 53 53 PHE CZ C 13 129.923 . . 1 . . 1144 . . 53 PHE CZ . 18523 1 606 . 1 1 53 53 PHE N N 15 118.046 0.024 . 1 . . 188 . . 53 PHE N . 18523 1 607 . 1 1 54 54 GLN H H 1 7.915 0.006 . 1 . . 31 . . 54 GLN H . 18523 1 608 . 1 1 54 54 GLN HA H 1 4.136 0.007 . 1 . . 622 . . 54 GLN HA . 18523 1 609 . 1 1 54 54 GLN HB2 H 1 2.069 0.01 . 1 . . 624 . . 54 GLN HB2 . 18523 1 610 . 1 1 54 54 GLN HB3 H 1 2.083 0.012 . 1 . . 623 . . 54 GLN HB3 . 18523 1 611 . 1 1 54 54 GLN HG2 H 1 2.389 0.007 . 1 . . 1046 . . 54 GLN HG2 . 18523 1 612 . 1 1 54 54 GLN HG3 H 1 2.390 0.004 . 1 . . 1047 . . 54 GLN HG3 . 18523 1 613 . 1 1 54 54 GLN HE21 H 1 6.720 0.001 . 1 . . 153 . . 54 GLN HE21 . 18523 1 614 . 1 1 54 54 GLN HE22 H 1 7.494 0.007 . 1 . . 17 . . 54 GLN HE22 . 18523 1 615 . 1 1 54 54 GLN C C 13 177.313 0.001 . 1 . . 335 . . 54 GLN C . 18523 1 616 . 1 1 54 54 GLN CA C 13 57.877 0.046 . 1 . . 333 . . 54 GLN CA . 18523 1 617 . 1 1 54 54 GLN CB C 13 29.053 0.041 . 1 . . 334 . . 54 GLN CB . 18523 1 618 . 1 1 54 54 GLN CG C 13 33.959 0.111 . 1 . . 1048 . . 54 GLN CG . 18523 1 619 . 1 1 54 54 GLN N N 15 119.244 0.027 . 1 . . 32 . . 54 GLN N . 18523 1 620 . 1 1 54 54 GLN NE2 N 15 112.331 0.008 . 1 . . 18 . . 54 GLN NE2 . 18523 1 621 . 1 1 55 55 GLY H H 1 8.067 0.004 . 1 . . 13 . . 55 GLY H . 18523 1 622 . 1 1 55 55 GLY HA2 H 1 3.941 0.008 . 1 . . 626 . . 55 GLY HA2 . 18523 1 623 . 1 1 55 55 GLY HA3 H 1 3.946 0.006 . 1 . . 625 . . 55 GLY HA3 . 18523 1 624 . 1 1 55 55 GLY C C 13 175.419 0.009 . 1 . . 332 . . 55 GLY C . 18523 1 625 . 1 1 55 55 GLY CA C 13 46.411 0.019 . 1 . . 331 . . 55 GLY CA . 18523 1 626 . 1 1 55 55 GLY N N 15 107.662 0.033 . 1 . . 14 . . 55 GLY N . 18523 1 627 . 1 1 56 56 VAL H H 1 7.712 0.005 . 1 . . 242 . . 56 VAL H . 18523 1 628 . 1 1 56 56 VAL HA H 1 3.936 0.009 . 1 . . 627 . . 56 VAL HA . 18523 1 629 . 1 1 56 56 VAL HB H 1 2.115 0.004 . 1 . . 628 . . 56 VAL HB . 18523 1 630 . 1 1 56 56 VAL HG11 H 1 0.892 0.019 . 1 . . 1049 . . 56 VAL HG11 . 18523 1 631 . 1 1 56 56 VAL HG12 H 1 0.892 0.019 . 1 . . 1049 . . 56 VAL HG12 . 18523 1 632 . 1 1 56 56 VAL HG13 H 1 0.892 0.019 . 1 . . 1049 . . 56 VAL HG13 . 18523 1 633 . 1 1 56 56 VAL HG21 H 1 0.961 0.003 . 1 . . 1050 . . 56 VAL HG21 . 18523 1 634 . 1 1 56 56 VAL HG22 H 1 0.961 0.003 . 1 . . 1050 . . 56 VAL HG22 . 18523 1 635 . 1 1 56 56 VAL HG23 H 1 0.961 0.003 . 1 . . 1050 . . 56 VAL HG23 . 18523 1 636 . 1 1 56 56 VAL C C 13 176.576 0.0 . 1 . . 330 . . 56 VAL C . 18523 1 637 . 1 1 56 56 VAL CA C 13 64.435 0.079 . 1 . . 328 . . 56 VAL CA . 18523 1 638 . 1 1 56 56 VAL CB C 13 32.220 0.046 . 1 . . 327 . . 56 VAL CB . 18523 1 639 . 1 1 56 56 VAL CG1 C 13 21.549 0.012 . 1 . . 1052 . . 56 VAL CG1 . 18523 1 640 . 1 1 56 56 VAL CG2 C 13 21.709 0.071 . 1 . . 1051 . . 56 VAL CG2 . 18523 1 641 . 1 1 56 56 VAL N N 15 119.018 0.074 . 1 . . 243 . . 56 VAL N . 18523 1 642 . 1 1 57 57 HIS H H 1 8.150 0.005 . 1 . . 69 . . 57 HIS H . 18523 1 643 . 1 1 57 57 HIS HA H 1 4.509 0.019 . 1 . . 629 . . 57 HIS HA . 18523 1 644 . 1 1 57 57 HIS HB2 H 1 3.118 0.004 . 1 . . 630 . . 57 HIS HB2 . 18523 1 645 . 1 1 57 57 HIS HB3 H 1 3.318 0.006 . 1 . . 631 . . 57 HIS HB3 . 18523 1 646 . 1 1 57 57 HIS C C 13 175.141 0.019 . 1 . . 324 . . 57 HIS C . 18523 1 647 . 1 1 57 57 HIS CA C 13 57.112 0.038 . 1 . . 329 . . 57 HIS CA . 18523 1 648 . 1 1 57 57 HIS CB C 13 29.084 0.041 . 1 . . 325 . . 57 HIS CB . 18523 1 649 . 1 1 57 57 HIS N N 15 118.867 0.029 . 1 . . 70 . . 57 HIS N . 18523 1 650 . 1 1 58 58 ASP H H 1 8.267 0.01 . 1 . . 156 . . 58 ASP H . 18523 1 651 . 1 1 58 58 ASP HA H 1 4.534 0.003 . 1 . . 634 . . 58 ASP HA . 18523 1 652 . 1 1 58 58 ASP HB2 H 1 2.696 0.004 . 1 . . 633 . . 58 ASP HB2 . 18523 1 653 . 1 1 58 58 ASP HB3 H 1 2.696 0.004 . 1 . . 632 . . 58 ASP HB3 . 18523 1 654 . 1 1 58 58 ASP C C 13 177.204 0.001 . 1 . . 326 . . 58 ASP C . 18523 1 655 . 1 1 58 58 ASP CA C 13 55.583 0.036 . 1 . . 323 . . 58 ASP CA . 18523 1 656 . 1 1 58 58 ASP CB C 13 41.135 0.042 . 1 . . 322 . . 58 ASP CB . 18523 1 657 . 1 1 58 58 ASP N N 15 120.312 0.029 . 1 . . 157 . . 58 ASP N . 18523 1 658 . 1 1 59 59 SER H H 1 8.067 0.011 . 1 . . 235 . . 59 SER H . 18523 1 659 . 1 1 59 59 SER HA H 1 4.320 0.008 . 1 . . 635 . . 59 SER HA . 18523 1 660 . 1 1 59 59 SER HB2 H 1 3.871 0.007 . 1 . . 636 . . 59 SER HB2 . 18523 1 661 . 1 1 59 59 SER HB3 H 1 3.947 0.004 . 1 . . 637 . . 59 SER HB3 . 18523 1 662 . 1 1 59 59 SER C C 13 175.123 0.002 . 1 . . 307 . . 59 SER C . 18523 1 663 . 1 1 59 59 SER CA C 13 60.090 0.026 . 1 . . 308 . . 59 SER CA . 18523 1 664 . 1 1 59 59 SER CB C 13 63.938 0.072 . 1 . . 309 . . 59 SER CB . 18523 1 665 . 1 1 59 59 SER N N 15 116.227 0.033 . 1 . . 236 . . 59 SER N . 18523 1 666 . 1 1 60 60 ALA H H 1 8.135 0.014 . 1 . . 1 . . 60 ALA H . 18523 1 667 . 1 1 60 60 ALA HA H 1 4.218 0.009 . 1 . . 639 . . 60 ALA HA . 18523 1 668 . 1 1 60 60 ALA HB1 H 1 1.411 0.007 . 1 . . 640 . . 60 ALA HB1 . 18523 1 669 . 1 1 60 60 ALA HB2 H 1 1.411 0.007 . 1 . . 640 . . 60 ALA HB2 . 18523 1 670 . 1 1 60 60 ALA HB3 H 1 1.411 0.007 . 1 . . 640 . . 60 ALA HB3 . 18523 1 671 . 1 1 60 60 ALA C C 13 178.230 0.015 . 1 . . 276 . . 60 ALA C . 18523 1 672 . 1 1 60 60 ALA CA C 13 53.782 0.029 . 1 . . 310 . . 60 ALA CA . 18523 1 673 . 1 1 60 60 ALA CB C 13 19.148 0.038 . 1 . . 275 . . 60 ALA CB . 18523 1 674 . 1 1 60 60 ALA N N 15 124.907 0.032 . 1 . . 2 . . 60 ALA N . 18523 1 675 . 1 1 61 61 GLU H H 1 8.019 0.011 . 1 . . 51 . . 61 GLU H . 18523 1 676 . 1 1 61 61 GLU HA H 1 4.176 0.008 . 1 . . 641 . . 61 GLU HA . 18523 1 677 . 1 1 61 61 GLU HB2 H 1 1.950 0.013 . 1 . . 643 . . 61 GLU HB2 . 18523 1 678 . 1 1 61 61 GLU HB3 H 1 2.039 0.02 . 1 . . 642 . . 61 GLU HB3 . 18523 1 679 . 1 1 61 61 GLU HG2 H 1 2.215 0.008 . 1 . . 1054 . . 61 GLU HG2 . 18523 1 680 . 1 1 61 61 GLU HG3 H 1 2.257 0.002 . 1 . . 1053 . . 61 GLU HG3 . 18523 1 681 . 1 1 61 61 GLU C C 13 177.070 0.006 . 1 . . 278 . . 61 GLU C . 18523 1 682 . 1 1 61 61 GLU CA C 13 57.388 0.035 . 1 . . 311 . . 61 GLU CA . 18523 1 683 . 1 1 61 61 GLU CB C 13 30.066 0.085 . 1 . . 277 . . 61 GLU CB . 18523 1 684 . 1 1 61 61 GLU CG C 13 36.277 0.002 . 1 . . 1055 . . 61 GLU CG . 18523 1 685 . 1 1 61 61 GLU N N 15 118.188 0.061 . 1 . . 52 . . 61 GLU N . 18523 1 686 . 1 1 62 62 LYS H H 1 7.891 0.01 . 1 . . 79 . . 62 LYS H . 18523 1 687 . 1 1 62 62 LYS HA H 1 4.272 0.005 . 1 . . 644 . . 62 LYS HA . 18523 1 688 . 1 1 62 62 LYS HB2 H 1 1.839 0.011 . 1 . . 645 . . 62 LYS HB2 . 18523 1 689 . 1 1 62 62 LYS HB3 H 1 1.847 0.008 . 1 . . 646 . . 62 LYS HB3 . 18523 1 690 . 1 1 62 62 LYS HG2 H 1 1.409 0.004 . 1 . . 1058 . . 62 LYS HG2 . 18523 1 691 . 1 1 62 62 LYS HG3 H 1 1.452 0.022 . 1 . . 1059 . . 62 LYS HG3 . 18523 1 692 . 1 1 62 62 LYS HD2 H 1 1.664 0.003 . 1 . . 1056 . . 62 LYS HD2 . 18523 1 693 . 1 1 62 62 LYS HD3 H 1 1.664 0.003 . 1 . . 1057 . . 62 LYS HD3 . 18523 1 694 . 1 1 62 62 LYS HE2 H 1 2.984 0.0 . 1 . . 1060 . . 62 LYS HE2 . 18523 1 695 . 1 1 62 62 LYS HE3 H 1 2.984 0.0 . 1 . . 1061 . . 62 LYS HE3 . 18523 1 696 . 1 1 62 62 LYS C C 13 177.528 0.001 . 1 . . 279 . . 62 LYS C . 18523 1 697 . 1 1 62 62 LYS CA C 13 57.056 0.071 . 1 . . 312 . . 62 LYS CA . 18523 1 698 . 1 1 62 62 LYS CB C 13 33.032 0.025 . 1 . . 280 . . 62 LYS CB . 18523 1 699 . 1 1 62 62 LYS N N 15 120.594 0.053 . 1 . . 80 . . 62 LYS N . 18523 1 700 . 1 1 63 63 GLY H H 1 8.220 0.004 . 1 . . 171 . . 63 GLY H . 18523 1 701 . 1 1 63 63 GLY HA2 H 1 3.898 0.018 . 1 . . 647 . . 63 GLY HA2 . 18523 1 702 . 1 1 63 63 GLY HA3 H 1 3.937 0.009 . 1 . . 648 . . 63 GLY HA3 . 18523 1 703 . 1 1 63 63 GLY C C 13 174.472 0.001 . 1 . . 282 . . 63 GLY C . 18523 1 704 . 1 1 63 63 GLY CA C 13 45.970 0.02 . 1 . . 281 . . 63 GLY CA . 18523 1 705 . 1 1 63 63 GLY N N 15 108.737 0.043 . 1 . . 172 . . 63 GLY N . 18523 1 706 . 1 1 64 64 LYS H H 1 7.952 0.006 . 1 . . 102 . . 64 LYS H . 18523 1 707 . 1 1 64 64 LYS HA H 1 4.278 0.006 . 1 . . 649 . . 64 LYS HA . 18523 1 708 . 1 1 64 64 LYS HB2 H 1 1.760 0.011 . 1 . . 650 . . 64 LYS HB2 . 18523 1 709 . 1 1 64 64 LYS HB3 H 1 1.851 0.008 . 1 . . 651 . . 64 LYS HB3 . 18523 1 710 . 1 1 64 64 LYS HG2 H 1 1.405 . . 1 . . 1066 . . 64 LYS HG2 . 18523 1 711 . 1 1 64 64 LYS HG3 H 1 1.452 . . 1 . . 1067 . . 64 LYS HG3 . 18523 1 712 . 1 1 64 64 LYS HD2 H 1 1.663 . . 1 . . 1065 . . 64 LYS HD2 . 18523 1 713 . 1 1 64 64 LYS HD3 H 1 1.663 . . 1 . . 1064 . . 64 LYS HD3 . 18523 1 714 . 1 1 64 64 LYS HE2 H 1 2.984 . . 1 . . 1062 . . 64 LYS HE2 . 18523 1 715 . 1 1 64 64 LYS HE3 H 1 2.984 . . 1 . . 1063 . . 64 LYS HE3 . 18523 1 716 . 1 1 64 64 LYS C C 13 176.669 0.011 . 1 . . 283 . . 64 LYS C . 18523 1 717 . 1 1 64 64 LYS CA C 13 56.999 0.038 . 1 . . 314 . . 64 LYS CA . 18523 1 718 . 1 1 64 64 LYS CB C 13 33.137 0.023 . 1 . . 284 . . 64 LYS CB . 18523 1 719 . 1 1 64 64 LYS N N 15 120.373 0.033 . 1 . . 103 . . 64 LYS N . 18523 1 720 . 1 1 65 65 ASP H H 1 8.226 0.004 . 1 . . 212 . . 65 ASP H . 18523 1 721 . 1 1 65 65 ASP HA H 1 4.554 0.011 . 1 . . 654 . . 65 ASP HA . 18523 1 722 . 1 1 65 65 ASP HB2 H 1 2.615 0.014 . 1 . . 652 . . 65 ASP HB2 . 18523 1 723 . 1 1 65 65 ASP HB3 H 1 2.677 0.011 . 1 . . 653 . . 65 ASP HB3 . 18523 1 724 . 1 1 65 65 ASP C C 13 176.291 0.009 . 1 . . 286 . . 65 ASP C . 18523 1 725 . 1 1 65 65 ASP CA C 13 54.984 0.043 . 1 . . 313 . . 65 ASP CA . 18523 1 726 . 1 1 65 65 ASP CB C 13 41.254 0.022 . 1 . . 285 . . 65 ASP CB . 18523 1 727 . 1 1 65 65 ASP N N 15 120.512 0.032 . 1 . . 213 . . 65 ASP N . 18523 1 728 . 1 1 66 66 ASN H H 1 8.149 0.005 . 1 . . 247 . . 66 ASN H . 18523 1 729 . 1 1 66 66 ASN HA H 1 4.661 0.006 . 1 . . 655 . . 66 ASN HA . 18523 1 730 . 1 1 66 66 ASN HB2 H 1 2.751 0.019 . 1 . . 656 . . 66 ASN HB2 . 18523 1 731 . 1 1 66 66 ASN HB3 H 1 2.813 0.015 . 1 . . 657 . . 66 ASN HB3 . 18523 1 732 . 1 1 66 66 ASN HD21 H 1 6.794 0.009 . 1 . . 141 . . 66 ASN HD21 . 18523 1 733 . 1 1 66 66 ASN HD22 H 1 7.453 0.023 . 1 . . 137 . . 66 ASN HD22 . 18523 1 734 . 1 1 66 66 ASN C C 13 175.327 0.025 . 1 . . 288 . . 66 ASN C . 18523 1 735 . 1 1 66 66 ASN CA C 13 53.669 0.043 . 1 . . 315 . . 66 ASN CA . 18523 1 736 . 1 1 66 66 ASN CB C 13 39.256 0.054 . 1 . . 287 . . 66 ASN CB . 18523 1 737 . 1 1 66 66 ASN N N 15 118.763 0.039 . 1 . . 248 . . 66 ASN N . 18523 1 738 . 1 1 66 66 ASN ND2 N 15 112.351 0.01 . 1 . . 138 . . 66 ASN ND2 . 18523 1 739 . 1 1 67 67 ALA H H 1 8.138 0.007 . 1 . . 183 . . 67 ALA H . 18523 1 740 . 1 1 67 67 ALA HA H 1 4.270 0.005 . 1 . . 658 . . 67 ALA HA . 18523 1 741 . 1 1 67 67 ALA HB1 H 1 1.393 0.005 . 1 . . 659 . . 67 ALA HB1 . 18523 1 742 . 1 1 67 67 ALA HB2 H 1 1.393 0.005 . 1 . . 659 . . 67 ALA HB2 . 18523 1 743 . 1 1 67 67 ALA HB3 H 1 1.393 0.005 . 1 . . 659 . . 67 ALA HB3 . 18523 1 744 . 1 1 67 67 ALA C C 13 177.940 0.011 . 1 . . 289 . . 67 ALA C . 18523 1 745 . 1 1 67 67 ALA CA C 13 53.360 0.161 . 1 . . 316 . . 67 ALA CA . 18523 1 746 . 1 1 67 67 ALA CB C 13 19.376 0.014 . 1 . . 290 . . 67 ALA CB . 18523 1 747 . 1 1 67 67 ALA N N 15 123.984 0.027 . 1 . . 184 . . 67 ALA N . 18523 1 748 . 1 1 68 68 GLU H H 1 8.210 0.002 . 1 . . 225 . . 68 GLU H . 18523 1 749 . 1 1 68 68 GLU HA H 1 4.252 0.007 . 1 . . 660 . . 68 GLU HA . 18523 1 750 . 1 1 68 68 GLU HB2 H 1 1.955 0.007 . 1 . . 662 . . 68 GLU HB2 . 18523 1 751 . 1 1 68 68 GLU HB3 H 1 2.068 0.007 . 1 . . 661 . . 68 GLU HB3 . 18523 1 752 . 1 1 68 68 GLU HG2 H 1 2.250 0.016 . 1 . . 1068 . . 68 GLU HG2 . 18523 1 753 . 1 1 68 68 GLU HG3 H 1 2.244 0.005 . 1 . . 1069 . . 68 GLU HG3 . 18523 1 754 . 1 1 68 68 GLU C C 13 177.260 0.005 . 1 . . 291 . . 68 GLU C . 18523 1 755 . 1 1 68 68 GLU CA C 13 57.188 0.082 . 1 . . 317 . . 68 GLU CA . 18523 1 756 . 1 1 68 68 GLU CB C 13 30.159 0.036 . 1 . . 292 . . 68 GLU CB . 18523 1 757 . 1 1 68 68 GLU CG C 13 36.297 0.009 . 1 . . 1070 . . 68 GLU CG . 18523 1 758 . 1 1 68 68 GLU N N 15 119.013 0.043 . 1 . . 226 . . 68 GLU N . 18523 1 759 . 1 1 69 69 GLY H H 1 8.218 0.006 . 1 . . 94 . . 69 GLY H . 18523 1 760 . 1 1 69 69 GLY HA2 H 1 3.954 0.016 . 1 . . 664 . . 69 GLY HA2 . 18523 1 761 . 1 1 69 69 GLY HA3 H 1 3.973 0.015 . 1 . . 663 . . 69 GLY HA3 . 18523 1 762 . 1 1 69 69 GLY C C 13 174.375 0.009 . 1 . . 294 . . 69 GLY C . 18523 1 763 . 1 1 69 69 GLY CA C 13 45.797 0.021 . 1 . . 293 . . 69 GLY CA . 18523 1 764 . 1 1 69 69 GLY N N 15 109.458 0.037 . 1 . . 95 . . 69 GLY N . 18523 1 765 . 1 1 70 70 GLN H H 1 8.127 0.005 . 1 . . 135 . . 70 GLN H . 18523 1 766 . 1 1 70 70 GLN HA H 1 4.371 0.004 . 1 . . 665 . . 70 GLN HA . 18523 1 767 . 1 1 70 70 GLN HB2 H 1 1.980 0.01 . 1 . . 667 . . 70 GLN HB2 . 18523 1 768 . 1 1 70 70 GLN HB3 H 1 2.150 0.006 . 1 . . 666 . . 70 GLN HB3 . 18523 1 769 . 1 1 70 70 GLN HG2 H 1 2.339 0.009 . 1 . . 1072 . . 70 GLN HG2 . 18523 1 770 . 1 1 70 70 GLN HG3 H 1 2.339 0.009 . 1 . . 1071 . . 70 GLN HG3 . 18523 1 771 . 1 1 70 70 GLN HE22 H 1 7.392 . . 1 . . 222 . . 70 GLN HE22 . 18523 1 772 . 1 1 70 70 GLN C C 13 176.483 0.013 . 1 . . 295 . . 70 GLN C . 18523 1 773 . 1 1 70 70 GLN CA C 13 56.146 0.032 . 1 . . 318 . . 70 GLN CA . 18523 1 774 . 1 1 70 70 GLN CB C 13 29.733 0.027 . 1 . . 296 . . 70 GLN CB . 18523 1 775 . 1 1 70 70 GLN CG C 13 34.085 0.017 . 1 . . 1073 . . 70 GLN CG . 18523 1 776 . 1 1 70 70 GLN N N 15 119.492 0.03 . 1 . . 136 . . 70 GLN N . 18523 1 777 . 1 1 71 71 GLY H H 1 8.346 0.004 . 1 . . 133 . . 71 GLY H . 18523 1 778 . 1 1 71 71 GLY HA2 H 1 3.936 0.007 . 1 . . 669 . . 71 GLY HA2 . 18523 1 779 . 1 1 71 71 GLY HA3 H 1 3.950 0.011 . 1 . . 668 . . 71 GLY HA3 . 18523 1 780 . 1 1 71 71 GLY C C 13 173.934 0.003 . 1 . . 297 . . 71 GLY C . 18523 1 781 . 1 1 71 71 GLY CA C 13 45.752 0.064 . 1 . . 298 . . 71 GLY CA . 18523 1 782 . 1 1 71 71 GLY N N 15 109.805 0.027 . 1 . . 134 . . 71 GLY N . 18523 1 783 . 1 1 72 72 GLU H H 1 8.159 0.009 . 1 . . 158 . . 72 GLU H . 18523 1 784 . 1 1 72 72 GLU HA H 1 4.402 0.018 . 1 . . 670 . . 72 GLU HA . 18523 1 785 . 1 1 72 72 GLU HB2 H 1 1.937 0.006 . 1 . . 672 . . 72 GLU HB2 . 18523 1 786 . 1 1 72 72 GLU HB3 H 1 2.081 0.025 . 1 . . 671 . . 72 GLU HB3 . 18523 1 787 . 1 1 72 72 GLU HG2 H 1 2.309 0.004 . 1 . . 1074 . . 72 GLU HG2 . 18523 1 788 . 1 1 72 72 GLU HG3 H 1 2.309 0.004 . 1 . . 1075 . . 72 GLU HG3 . 18523 1 789 . 1 1 72 72 GLU C C 13 176.537 0.011 . 1 . . 299 . . 72 GLU C . 18523 1 790 . 1 1 72 72 GLU CA C 13 56.619 0.034 . 1 . . 306 . . 72 GLU CA . 18523 1 791 . 1 1 72 72 GLU CB C 13 30.707 0.046 . 1 . . 300 . . 72 GLU CB . 18523 1 792 . 1 1 72 72 GLU CG C 13 35.804 0.008 . 1 . . 1076 . . 72 GLU CG . 18523 1 793 . 1 1 72 72 GLU N N 15 120.393 0.031 . 1 . . 159 . . 72 GLU N . 18523 1 794 . 1 1 73 73 SER H H 1 8.662 0.013 . 1 . . 130 . . 73 SER H . 18523 1 795 . 1 1 73 73 SER HA H 1 4.547 0.005 . 1 . . 675 . . 73 SER HA . 18523 1 796 . 1 1 73 73 SER HB2 H 1 3.977 0.004 . 1 . . 673 . . 73 SER HB2 . 18523 1 797 . 1 1 73 73 SER HB3 H 1 4.236 0.005 . 1 . . 674 . . 73 SER HB3 . 18523 1 798 . 1 1 73 73 SER C C 13 175.424 0.007 . 1 . . 302 . . 73 SER C . 18523 1 799 . 1 1 73 73 SER CA C 13 58.241 0.025 . 1 . . 305 . . 73 SER CA . 18523 1 800 . 1 1 73 73 SER CB C 13 64.849 0.042 . 1 . . 301 . . 73 SER CB . 18523 1 801 . 1 1 73 73 SER N N 15 118.037 0.118 . 1 . . 131 . . 73 SER N . 18523 1 802 . 1 1 74 74 LEU H H 1 8.462 0.013 . 1 . . 100 . . 74 LEU H . 18523 1 803 . 1 1 74 74 LEU HA H 1 4.168 0.006 . 1 . . 676 . . 74 LEU HA . 18523 1 804 . 1 1 74 74 LEU HB2 H 1 1.582 0.009 . 1 . . 677 . . 74 LEU HB2 . 18523 1 805 . 1 1 74 74 LEU HB3 H 1 1.804 0.004 . 1 . . 686 . . 74 LEU HB3 . 18523 1 806 . 1 1 74 74 LEU HG H 1 1.726 0.005 . 1 . . 1077 . . 74 LEU HG . 18523 1 807 . 1 1 74 74 LEU HD11 H 1 0.903 0.008 . 1 . . 1078 . . 74 LEU HD11 . 18523 1 808 . 1 1 74 74 LEU HD12 H 1 0.903 0.008 . 1 . . 1078 . . 74 LEU HD12 . 18523 1 809 . 1 1 74 74 LEU HD13 H 1 0.903 0.008 . 1 . . 1078 . . 74 LEU HD13 . 18523 1 810 . 1 1 74 74 LEU HD21 H 1 0.954 0.008 . 1 . . 1079 . . 74 LEU HD21 . 18523 1 811 . 1 1 74 74 LEU HD22 H 1 0.954 0.008 . 1 . . 1079 . . 74 LEU HD22 . 18523 1 812 . 1 1 74 74 LEU HD23 H 1 0.954 0.008 . 1 . . 1079 . . 74 LEU HD23 . 18523 1 813 . 1 1 74 74 LEU C C 13 178.486 0.017 . 1 . . 304 . . 74 LEU C . 18523 1 814 . 1 1 74 74 LEU CA C 13 58.179 0.042 . 1 . . 319 . . 74 LEU CA . 18523 1 815 . 1 1 74 74 LEU CB C 13 42.078 0.037 . 1 . . 303 . . 74 LEU CB . 18523 1 816 . 1 1 74 74 LEU CG C 13 27.526 0.028 . 1 . . 1080 . . 74 LEU CG . 18523 1 817 . 1 1 74 74 LEU CD1 C 13 24.458 0.057 . 1 . . 1082 . . 74 LEU CD1 . 18523 1 818 . 1 1 74 74 LEU CD2 C 13 25.085 0.029 . 1 . . 1081 . . 74 LEU CD2 . 18523 1 819 . 1 1 74 74 LEU N N 15 124.133 0.035 . 1 . . 101 . . 74 LEU N . 18523 1 820 . 1 1 75 75 ALA H H 1 8.102 0.008 . 1 . . 77 . . 75 ALA H . 18523 1 821 . 1 1 75 75 ALA HA H 1 3.952 0.004 . 1 . . 688 . . 75 ALA HA . 18523 1 822 . 1 1 75 75 ALA HB1 H 1 1.395 0.03 . 1 . . 687 . . 75 ALA HB1 . 18523 1 823 . 1 1 75 75 ALA HB2 H 1 1.395 0.03 . 1 . . 687 . . 75 ALA HB2 . 18523 1 824 . 1 1 75 75 ALA HB3 H 1 1.395 0.03 . 1 . . 687 . . 75 ALA HB3 . 18523 1 825 . 1 1 75 75 ALA C C 13 179.117 0.017 . 1 . . 866 . . 75 ALA C . 18523 1 826 . 1 1 75 75 ALA CA C 13 55.469 0.021 . 1 . . 867 . . 75 ALA CA . 18523 1 827 . 1 1 75 75 ALA CB C 13 18.707 0.033 . 1 . . 678 . . 75 ALA CB . 18523 1 828 . 1 1 75 75 ALA N N 15 120.053 0.024 . 1 . . 78 . . 75 ALA N . 18523 1 829 . 1 1 76 76 ASP H H 1 7.705 0.004 . 1 . . 126 . . 76 ASP H . 18523 1 830 . 1 1 76 76 ASP HA H 1 4.372 0.005 . 1 . . 868 . . 76 ASP HA . 18523 1 831 . 1 1 76 76 ASP HB2 H 1 2.728 0.009 . 1 . . 869 . . 76 ASP HB2 . 18523 1 832 . 1 1 76 76 ASP HB3 H 1 2.787 0.003 . 1 . . 870 . . 76 ASP HB3 . 18523 1 833 . 1 1 76 76 ASP C C 13 178.501 0.009 . 1 . . 422 . . 76 ASP C . 18523 1 834 . 1 1 76 76 ASP CA C 13 57.306 0.028 . 1 . . 682 . . 76 ASP CA . 18523 1 835 . 1 1 76 76 ASP CB C 13 40.629 0.031 . 1 . . 421 . . 76 ASP CB . 18523 1 836 . 1 1 76 76 ASP N N 15 117.182 0.032 . 1 . . 127 . . 76 ASP N . 18523 1 837 . 1 1 77 77 GLN H H 1 7.967 0.013 . 1 . . 73 . . 77 GLN H . 18523 1 838 . 1 1 77 77 GLN HA H 1 4.113 0.007 . 1 . . 872 . . 77 GLN HA . 18523 1 839 . 1 1 77 77 GLN HB2 H 1 2.132 0.013 . 1 . . 875 . . 77 GLN HB2 . 18523 1 840 . 1 1 77 77 GLN HB3 H 1 2.131 0.012 . 1 . . 871 . . 77 GLN HB3 . 18523 1 841 . 1 1 77 77 GLN HG2 H 1 2.265 0.006 . 1 . . 1083 . . 77 GLN HG2 . 18523 1 842 . 1 1 77 77 GLN HG3 H 1 2.399 0.012 . 1 . . 1084 . . 77 GLN HG3 . 18523 1 843 . 1 1 77 77 GLN HE21 H 1 6.660 . . 1 . . 244 . . 77 GLN HE21 . 18523 1 844 . 1 1 77 77 GLN HE22 H 1 6.865 . . 1 . . 25 . . 77 GLN HE22 . 18523 1 845 . 1 1 77 77 GLN C C 13 178.079 0.017 . 1 . . 523 . . 77 GLN C . 18523 1 846 . 1 1 77 77 GLN CA C 13 58.740 0.063 . 1 . . 425 . . 77 GLN CA . 18523 1 847 . 1 1 77 77 GLN CB C 13 29.509 0.026 . 1 . . 522 . . 77 GLN CB . 18523 1 848 . 1 1 77 77 GLN CG C 13 34.745 0.053 . 1 . . 1085 . . 77 GLN CG . 18523 1 849 . 1 1 77 77 GLN N N 15 119.452 0.06 . 1 . . 74 . . 77 GLN N . 18523 1 850 . 1 1 78 78 ALA H H 1 8.448 0.007 . 1 . . 193 . . 78 ALA H . 18523 1 851 . 1 1 78 78 ALA HA H 1 4.112 0.005 . 1 . . 873 . . 78 ALA HA . 18523 1 852 . 1 1 78 78 ALA HB1 H 1 1.490 0.013 . 1 . . 874 . . 78 ALA HB1 . 18523 1 853 . 1 1 78 78 ALA HB2 H 1 1.490 0.013 . 1 . . 874 . . 78 ALA HB2 . 18523 1 854 . 1 1 78 78 ALA HB3 H 1 1.490 0.013 . 1 . . 874 . . 78 ALA HB3 . 18523 1 855 . 1 1 78 78 ALA C C 13 179.095 0.001 . 1 . . 423 . . 78 ALA C . 18523 1 856 . 1 1 78 78 ALA CA C 13 55.422 0.031 . 1 . . 679 . . 78 ALA CA . 18523 1 857 . 1 1 78 78 ALA CB C 13 18.663 0.017 . 1 . . 424 . . 78 ALA CB . 18523 1 858 . 1 1 78 78 ALA N N 15 121.361 0.026 . 1 . . 194 . . 78 ALA N . 18523 1 859 . 1 1 79 79 ARG H H 1 8.043 0.005 . 1 . . 5 . . 79 ARG H . 18523 1 860 . 1 1 79 79 ARG HA H 1 3.971 0.007 . 1 . . 877 . . 79 ARG HA . 18523 1 861 . 1 1 79 79 ARG HB2 H 1 1.925 0.01 . 1 . . 878 . . 79 ARG HB2 . 18523 1 862 . 1 1 79 79 ARG HB3 H 1 1.925 0.01 . 1 . . 879 . . 79 ARG HB3 . 18523 1 863 . 1 1 79 79 ARG HG2 H 1 1.620 0.013 . 1 . . 1087 . . 79 ARG HG2 . 18523 1 864 . 1 1 79 79 ARG HG3 H 1 1.866 0.017 . 1 . . 1086 . . 79 ARG HG3 . 18523 1 865 . 1 1 79 79 ARG HD2 H 1 3.227 0.018 . 1 . . 1088 . . 79 ARG HD2 . 18523 1 866 . 1 1 79 79 ARG HD3 H 1 3.233 0.014 . 1 . . 1089 . . 79 ARG HD3 . 18523 1 867 . 1 1 79 79 ARG HE H 1 7.125 0.002 . 1 . . 57 . . 79 ARG HE . 18523 1 868 . 1 1 79 79 ARG C C 13 179.088 . . 1 . . 876 . . 79 ARG C . 18523 1 869 . 1 1 79 79 ARG CA C 13 59.919 0.041 . 1 . . 681 . . 79 ARG CA . 18523 1 870 . 1 1 79 79 ARG CB C 13 30.313 0.136 . 1 . . 680 . . 79 ARG CB . 18523 1 871 . 1 1 79 79 ARG CG C 13 28.615 0.041 . 1 . . 1090 . . 79 ARG CG . 18523 1 872 . 1 1 79 79 ARG CD C 13 43.626 0.013 . 1 . . 1091 . . 79 ARG CD . 18523 1 873 . 1 1 79 79 ARG CZ C 13 159.547 . . 1 . . 1387 . . 79 ARG CZ . 18523 1 874 . 1 1 79 79 ARG N N 15 116.956 0.029 . 1 . . 6 . . 79 ARG N . 18523 1 875 . 1 1 79 79 ARG NE N 15 84.738 0.029 . 1 . . 58 . . 79 ARG NE . 18523 1 876 . 1 1 80 80 ASP H H 1 7.966 0.004 . 1 . . 75 . . 80 ASP H . 18523 1 877 . 1 1 80 80 ASP HA H 1 4.469 0.006 . 1 . . 862 . . 80 ASP HA . 18523 1 878 . 1 1 80 80 ASP HB2 H 1 2.581 0.005 . 1 . . 881 . . 80 ASP HB2 . 18523 1 879 . 1 1 80 80 ASP HB3 H 1 2.728 0.007 . 1 . . 880 . . 80 ASP HB3 . 18523 1 880 . 1 1 80 80 ASP C C 13 179.031 0.009 . 1 . . 864 . . 80 ASP C . 18523 1 881 . 1 1 80 80 ASP CA C 13 57.167 0.046 . 1 . . 863 . . 80 ASP CA . 18523 1 882 . 1 1 80 80 ASP CB C 13 40.219 0.041 . 1 . . 865 . . 80 ASP CB . 18523 1 883 . 1 1 80 80 ASP N N 15 120.753 0.026 . 1 . . 76 . . 80 ASP N . 18523 1 884 . 1 1 81 81 TYR H H 1 8.090 0.015 . 1 . . 267 . . 81 TYR H . 18523 1 885 . 1 1 81 81 TYR HA H 1 4.416 0.016 . 1 . . 858 . . 81 TYR HA . 18523 1 886 . 1 1 81 81 TYR HB2 H 1 3.070 0.003 . 1 . . 861 . . 81 TYR HB2 . 18523 1 887 . 1 1 81 81 TYR HB3 H 1 3.071 0.004 . 1 . . 859 . . 81 TYR HB3 . 18523 1 888 . 1 1 81 81 TYR HD1 H 1 7.082 0.002 . 3 . . 1124 . . 81 TYR HD1 . 18523 1 889 . 1 1 81 81 TYR HD2 H 1 7.082 0.002 . 3 . . 1124 . . 81 TYR HD2 . 18523 1 890 . 1 1 81 81 TYR HE1 H 1 6.795 . . 3 . . 1136 . . 81 TYR HE1 . 18523 1 891 . 1 1 81 81 TYR HE2 H 1 6.795 . . 3 . . 1136 . . 81 TYR HE2 . 18523 1 892 . 1 1 81 81 TYR C C 13 177.906 0.002 . 1 . . 508 . . 81 TYR C . 18523 1 893 . 1 1 81 81 TYR CA C 13 61.003 0.047 . 1 . . 521 . . 81 TYR CA . 18523 1 894 . 1 1 81 81 TYR CB C 13 38.562 0.019 . 1 . . 509 . . 81 TYR CB . 18523 1 895 . 1 1 81 81 TYR CD1 C 13 133.056 0.064 . 3 . . 1128 . . 81 TYR CD1 . 18523 1 896 . 1 1 81 81 TYR CD2 C 13 133.056 0.064 . 3 . . 1128 . . 81 TYR CD2 . 18523 1 897 . 1 1 81 81 TYR CE1 C 13 118.791 . . 3 . . 1137 . . 81 TYR CE1 . 18523 1 898 . 1 1 81 81 TYR CE2 C 13 118.791 . . 3 . . 1137 . . 81 TYR CE2 . 18523 1 899 . 1 1 81 81 TYR N N 15 120.169 0.034 . 1 . . 268 . . 81 TYR N . 18523 1 900 . 1 1 82 82 MET H H 1 8.356 0.007 . 1 . . 169 . . 82 MET H . 18523 1 901 . 1 1 82 82 MET HA H 1 4.212 0.005 . 1 . . 857 . . 82 MET HA . 18523 1 902 . 1 1 82 82 MET HB2 H 1 2.587 0.004 . 1 . . 860 . . 82 MET HB2 . 18523 1 903 . 1 1 82 82 MET HB3 H 1 2.711 0.005 . 1 . . 1092 . . 82 MET HB3 . 18523 1 904 . 1 1 82 82 MET HG2 H 1 2.157 0.008 . 1 . . 856 . . 82 MET HG2 . 18523 1 905 . 1 1 82 82 MET HG3 H 1 2.236 0.006 . 1 . . 1093 . . 82 MET HG3 . 18523 1 906 . 1 1 82 82 MET C C 13 178.201 0.025 . 1 . . 511 . . 82 MET C . 18523 1 907 . 1 1 82 82 MET CA C 13 59.004 0.025 . 1 . . 520 . . 82 MET CA . 18523 1 908 . 1 1 82 82 MET CB C 13 33.033 0.132 . 1 . . 510 . . 82 MET CB . 18523 1 909 . 1 1 82 82 MET CG C 13 32.904 0.101 . 1 . . 1094 . . 82 MET CG . 18523 1 910 . 1 1 82 82 MET N N 15 118.378 0.047 . 1 . . 170 . . 82 MET N . 18523 1 911 . 1 1 83 83 GLY H H 1 8.255 0.005 . 1 . . 122 . . 83 GLY H . 18523 1 912 . 1 1 83 83 GLY HA2 H 1 3.837 0.003 . 1 . . 855 . . 83 GLY HA2 . 18523 1 913 . 1 1 83 83 GLY HA3 H 1 3.993 0.007 . 1 . . 854 . . 83 GLY HA3 . 18523 1 914 . 1 1 83 83 GLY C C 13 176.717 0.017 . 1 . . 518 . . 83 GLY C . 18523 1 915 . 1 1 83 83 GLY CA C 13 47.488 0.045 . 1 . . 519 . . 83 GLY CA . 18523 1 916 . 1 1 83 83 GLY N N 15 106.544 0.031 . 1 . . 123 . . 83 GLY N . 18523 1 917 . 1 1 84 84 ALA H H 1 7.840 0.005 . 1 . . 229 . . 84 ALA H . 18523 1 918 . 1 1 84 84 ALA HA H 1 4.265 0.005 . 1 . . 852 . . 84 ALA HA . 18523 1 919 . 1 1 84 84 ALA HB1 H 1 1.561 0.007 . 1 . . 853 . . 84 ALA HB1 . 18523 1 920 . 1 1 84 84 ALA HB2 H 1 1.561 0.007 . 1 . . 853 . . 84 ALA HB2 . 18523 1 921 . 1 1 84 84 ALA HB3 H 1 1.561 0.007 . 1 . . 853 . . 84 ALA HB3 . 18523 1 922 . 1 1 84 84 ALA C C 13 180.192 0.005 . 1 . . 512 . . 84 ALA C . 18523 1 923 . 1 1 84 84 ALA CA C 13 54.802 0.038 . 1 . . 851 . . 84 ALA CA . 18523 1 924 . 1 1 84 84 ALA CB C 13 18.658 0.019 . 1 . . 513 . . 84 ALA CB . 18523 1 925 . 1 1 84 84 ALA N N 15 125.254 0.037 . 1 . . 230 . . 84 ALA N . 18523 1 926 . 1 1 85 85 ALA H H 1 8.285 0.012 . 1 . . 160 . . 85 ALA H . 18523 1 927 . 1 1 85 85 ALA HA H 1 3.993 0.004 . 1 . . 847 . . 85 ALA HA . 18523 1 928 . 1 1 85 85 ALA HB1 H 1 1.506 0.007 . 1 . . 848 . . 85 ALA HB1 . 18523 1 929 . 1 1 85 85 ALA HB2 H 1 1.506 0.007 . 1 . . 848 . . 85 ALA HB2 . 18523 1 930 . 1 1 85 85 ALA HB3 H 1 1.506 0.007 . 1 . . 848 . . 85 ALA HB3 . 18523 1 931 . 1 1 85 85 ALA C C 13 178.884 0.011 . 1 . . 515 . . 85 ALA C . 18523 1 932 . 1 1 85 85 ALA CA C 13 55.452 0.019 . 1 . . 849 . . 85 ALA CA . 18523 1 933 . 1 1 85 85 ALA CB C 13 18.616 0.021 . 1 . . 514 . . 85 ALA CB . 18523 1 934 . 1 1 85 85 ALA N N 15 121.168 0.046 . 1 . . 161 . . 85 ALA N . 18523 1 935 . 1 1 86 86 LYS H H 1 8.306 0.005 . 1 . . 104 . . 86 LYS H . 18523 1 936 . 1 1 86 86 LYS HA H 1 3.853 0.016 . 1 . . 845 . . 86 LYS HA . 18523 1 937 . 1 1 86 86 LYS HB2 H 1 1.942 0.018 . 1 . . 844 . . 86 LYS HB2 . 18523 1 938 . 1 1 86 86 LYS HB3 H 1 2.006 0.016 . 1 . . 846 . . 86 LYS HB3 . 18523 1 939 . 1 1 86 86 LYS HG2 H 1 1.469 0.008 . 1 . . 1408 . . 86 LYS HG2 . 18523 1 940 . 1 1 86 86 LYS HG3 H 1 1.587 0.007 . 1 . . 1410 . . 86 LYS HG3 . 18523 1 941 . 1 1 86 86 LYS HD2 H 1 1.761 0.03 . 1 . . 1414 . . 86 LYS HD2 . 18523 1 942 . 1 1 86 86 LYS HD3 H 1 1.753 0.029 . 1 . . 1415 . . 86 LYS HD3 . 18523 1 943 . 1 1 86 86 LYS HE2 H 1 2.998 0.006 . 1 . . 1411 . . 86 LYS HE2 . 18523 1 944 . 1 1 86 86 LYS HE3 H 1 2.998 0.006 . 1 . . 1412 . . 86 LYS HE3 . 18523 1 945 . 1 1 86 86 LYS C C 13 178.470 0.003 . 1 . . 516 . . 86 LYS C . 18523 1 946 . 1 1 86 86 LYS CA C 13 60.393 0.043 . 1 . . 843 . . 86 LYS CA . 18523 1 947 . 1 1 86 86 LYS CB C 13 32.442 0.011 . 1 . . 517 . . 86 LYS CB . 18523 1 948 . 1 1 86 86 LYS CG C 13 25.767 0.075 . 1 . . 1409 . . 86 LYS CG . 18523 1 949 . 1 1 86 86 LYS CD C 13 29.712 0.023 . 1 . . 1413 . . 86 LYS CD . 18523 1 950 . 1 1 86 86 LYS N N 15 116.851 0.032 . 1 . . 105 . . 86 LYS N . 18523 1 951 . 1 1 87 87 SER H H 1 7.804 0.012 . 1 . . 87 . . 87 SER H . 18523 1 952 . 1 1 87 87 SER HA H 1 4.284 0.005 . 1 . . 841 . . 87 SER HA . 18523 1 953 . 1 1 87 87 SER HB2 H 1 4.027 0.01 . 1 . . 842 . . 87 SER HB2 . 18523 1 954 . 1 1 87 87 SER HB3 H 1 4.027 0.01 . 1 . . 840 . . 87 SER HB3 . 18523 1 955 . 1 1 87 87 SER C C 13 176.485 . . 1 . . 850 . . 87 SER C . 18523 1 956 . 1 1 87 87 SER CA C 13 61.764 0.051 . 1 . . 839 . . 87 SER CA . 18523 1 957 . 1 1 87 87 SER CB C 13 63.237 0.034 . 1 . . 838 . . 87 SER CB . 18523 1 958 . 1 1 87 87 SER N N 15 113.477 0.032 . 1 . . 88 . . 87 SER N . 18523 1 959 . 1 1 88 88 LYS H H 1 7.790 0.004 . 1 . . 59 . . 88 LYS H . 18523 1 960 . 1 1 88 88 LYS HA H 1 4.325 0.011 . 1 . . 834 . . 88 LYS HA . 18523 1 961 . 1 1 88 88 LYS HB2 H 1 1.905 0.009 . 1 . . 836 . . 88 LYS HB2 . 18523 1 962 . 1 1 88 88 LYS HB3 H 1 1.995 0.006 . 1 . . 835 . . 88 LYS HB3 . 18523 1 963 . 1 1 88 88 LYS HG2 H 1 1.562 0.047 . 1 . . 1401 . . 88 LYS HG2 . 18523 1 964 . 1 1 88 88 LYS HG3 H 1 1.588 0.008 . 1 . . 1402 . . 88 LYS HG3 . 18523 1 965 . 1 1 88 88 LYS HD2 H 1 1.541 0.003 . 1 . . 1404 . . 88 LYS HD2 . 18523 1 966 . 1 1 88 88 LYS HD3 H 1 1.541 0.003 . 1 . . 1403 . . 88 LYS HD3 . 18523 1 967 . 1 1 88 88 LYS HE2 H 1 2.995 0.0 . 1 . . 1406 . . 88 LYS HE2 . 18523 1 968 . 1 1 88 88 LYS HE3 H 1 2.995 0.0 . 1 . . 1407 . . 88 LYS HE3 . 18523 1 969 . 1 1 88 88 LYS C C 13 178.554 0.041 . 1 . . 833 . . 88 LYS C . 18523 1 970 . 1 1 88 88 LYS CA C 13 57.817 0.06 . 1 . . 831 . . 88 LYS CA . 18523 1 971 . 1 1 88 88 LYS CB C 13 32.092 0.03 . 1 . . 832 . . 88 LYS CB . 18523 1 972 . 1 1 88 88 LYS CG C 13 25.487 0.005 . 1 . . 1405 . . 88 LYS CG . 18523 1 973 . 1 1 88 88 LYS N N 15 120.750 0.026 . 1 . . 60 . . 88 LYS N . 18523 1 974 . 1 1 89 89 LEU H H 1 8.126 0.008 . 1 . . 98 . . 89 LEU H . 18523 1 975 . 1 1 89 89 LEU HA H 1 4.072 0.007 . 1 . . 829 . . 89 LEU HA . 18523 1 976 . 1 1 89 89 LEU HB2 H 1 1.786 0.021 . 1 . . 837 . . 89 LEU HB2 . 18523 1 977 . 1 1 89 89 LEU HB3 H 1 1.787 0.02 . 1 . . 830 . . 89 LEU HB3 . 18523 1 978 . 1 1 89 89 LEU HG H 1 1.788 0.004 . 1 . . 1116 . . 89 LEU HG . 18523 1 979 . 1 1 89 89 LEU HD11 H 1 0.902 0.005 . 1 . . 1118 . . 89 LEU HD11 . 18523 1 980 . 1 1 89 89 LEU HD12 H 1 0.902 0.005 . 1 . . 1118 . . 89 LEU HD12 . 18523 1 981 . 1 1 89 89 LEU HD13 H 1 0.902 0.005 . 1 . . 1118 . . 89 LEU HD13 . 18523 1 982 . 1 1 89 89 LEU HD21 H 1 0.904 0.005 . 1 . . 1117 . . 89 LEU HD21 . 18523 1 983 . 1 1 89 89 LEU HD22 H 1 0.904 0.005 . 1 . . 1117 . . 89 LEU HD22 . 18523 1 984 . 1 1 89 89 LEU HD23 H 1 0.904 0.005 . 1 . . 1117 . . 89 LEU HD23 . 18523 1 985 . 1 1 89 89 LEU C C 13 178.290 0.054 . 1 . . 826 . . 89 LEU C . 18523 1 986 . 1 1 89 89 LEU CA C 13 58.349 0.031 . 1 . . 828 . . 89 LEU CA . 18523 1 987 . 1 1 89 89 LEU CB C 13 41.785 0.032 . 1 . . 827 . . 89 LEU CB . 18523 1 988 . 1 1 89 89 LEU CG C 13 27.311 0.054 . 1 . . 1115 . . 89 LEU CG . 18523 1 989 . 1 1 89 89 LEU CD1 C 13 24.875 0.035 . 1 . . 1120 . . 89 LEU CD1 . 18523 1 990 . 1 1 89 89 LEU CD2 C 13 24.878 0.035 . 1 . . 1119 . . 89 LEU CD2 . 18523 1 991 . 1 1 89 89 LEU N N 15 119.827 0.039 . 1 . . 99 . . 89 LEU N . 18523 1 992 . 1 1 90 90 ASN H H 1 8.160 0.006 . 1 . . 142 . . 90 ASN H . 18523 1 993 . 1 1 90 90 ASN HA H 1 4.370 0.01 . 1 . . 823 . . 90 ASN HA . 18523 1 994 . 1 1 90 90 ASN HB2 H 1 2.909 0.03 . 1 . . 825 . . 90 ASN HB2 . 18523 1 995 . 1 1 90 90 ASN HB3 H 1 2.911 0.03 . 1 . . 824 . . 90 ASN HB3 . 18523 1 996 . 1 1 90 90 ASN HD21 H 1 6.763 . . 1 . . 189 . . 90 ASN HD21 . 18523 1 997 . 1 1 90 90 ASN HD22 H 1 7.488 . . 1 . . 239 . . 90 ASN HD22 . 18523 1 998 . 1 1 90 90 ASN C C 13 177.721 0.009 . 1 . . 821 . . 90 ASN C . 18523 1 999 . 1 1 90 90 ASN CA C 13 57.322 0.022 . 1 . . 822 . . 90 ASN CA . 18523 1 1000 . 1 1 90 90 ASN CB C 13 39.100 0.048 . 1 . . 820 . . 90 ASN CB . 18523 1 1001 . 1 1 90 90 ASN N N 15 116.901 0.034 . 1 . . 143 . . 90 ASN N . 18523 1 1002 . 1 1 91 91 ASP H H 1 7.979 0.017 . 1 . . 257 . . 91 ASP H . 18523 1 1003 . 1 1 91 91 ASP HA H 1 4.434 0.006 . 1 . . 819 . . 91 ASP HA . 18523 1 1004 . 1 1 91 91 ASP HB2 H 1 2.719 0.005 . 1 . . 817 . . 91 ASP HB2 . 18523 1 1005 . 1 1 91 91 ASP HB3 H 1 2.929 0.006 . 1 . . 818 . . 91 ASP HB3 . 18523 1 1006 . 1 1 91 91 ASP C C 13 178.764 0.012 . 1 . . 816 . . 91 ASP C . 18523 1 1007 . 1 1 91 91 ASP CA C 13 57.530 0.016 . 1 . . 813 . . 91 ASP CA . 18523 1 1008 . 1 1 91 91 ASP CB C 13 40.227 0.069 . 1 . . 815 . . 91 ASP CB . 18523 1 1009 . 1 1 91 91 ASP N N 15 119.712 0.039 . 1 . . 258 . . 91 ASP N . 18523 1 1010 . 1 1 92 92 ALA H H 1 8.198 0.013 . 1 . . 7 . . 92 ALA H . 18523 1 1011 . 1 1 92 92 ALA HA H 1 4.180 0.008 . 1 . . 807 . . 92 ALA HA . 18523 1 1012 . 1 1 92 92 ALA HB1 H 1 1.577 0.029 . 1 . . 808 . . 92 ALA HB1 . 18523 1 1013 . 1 1 92 92 ALA HB2 H 1 1.577 0.029 . 1 . . 808 . . 92 ALA HB2 . 18523 1 1014 . 1 1 92 92 ALA HB3 H 1 1.577 0.029 . 1 . . 808 . . 92 ALA HB3 . 18523 1 1015 . 1 1 92 92 ALA C C 13 178.973 0.004 . 1 . . 804 . . 92 ALA C . 18523 1 1016 . 1 1 92 92 ALA CA C 13 55.667 0.018 . 1 . . 805 . . 92 ALA CA . 18523 1 1017 . 1 1 92 92 ALA CB C 13 18.651 0.042 . 1 . . 806 . . 92 ALA CB . 18523 1 1018 . 1 1 92 92 ALA N N 15 123.685 0.043 . 1 . . 8 . . 92 ALA N . 18523 1 1019 . 1 1 93 93 VAL H H 1 8.387 0.006 . 1 . . 237 . . 93 VAL H . 18523 1 1020 . 1 1 93 93 VAL HA H 1 3.573 0.004 . 1 . . 803 . . 93 VAL HA . 18523 1 1021 . 1 1 93 93 VAL HB H 1 2.284 0.006 . 1 . . 802 . . 93 VAL HB . 18523 1 1022 . 1 1 93 93 VAL HG11 H 1 0.985 0.005 . 1 . . 1112 . . 93 VAL HG11 . 18523 1 1023 . 1 1 93 93 VAL HG12 H 1 0.985 0.005 . 1 . . 1112 . . 93 VAL HG12 . 18523 1 1024 . 1 1 93 93 VAL HG13 H 1 0.985 0.005 . 1 . . 1112 . . 93 VAL HG13 . 18523 1 1025 . 1 1 93 93 VAL HG21 H 1 1.116 0.004 . 1 . . 1111 . . 93 VAL HG21 . 18523 1 1026 . 1 1 93 93 VAL HG22 H 1 1.116 0.004 . 1 . . 1111 . . 93 VAL HG22 . 18523 1 1027 . 1 1 93 93 VAL HG23 H 1 1.116 0.004 . 1 . . 1111 . . 93 VAL HG23 . 18523 1 1028 . 1 1 93 93 VAL C C 13 178.787 . . 1 . . 810 . . 93 VAL C . 18523 1 1029 . 1 1 93 93 VAL CA C 13 67.300 0.039 . 1 . . 811 . . 93 VAL CA . 18523 1 1030 . 1 1 93 93 VAL CB C 13 31.946 0.094 . 1 . . 809 . . 93 VAL CB . 18523 1 1031 . 1 1 93 93 VAL CG1 C 13 21.552 0.009 . 1 . . 1114 . . 93 VAL CG1 . 18523 1 1032 . 1 1 93 93 VAL CG2 C 13 23.297 0.046 . 1 . . 1113 . . 93 VAL CG2 . 18523 1 1033 . 1 1 93 93 VAL N N 15 118.048 0.035 . 1 . . 238 . . 93 VAL N . 18523 1 1034 . 1 1 94 94 GLU H H 1 8.124 0.006 . 1 . . 116 . . 94 GLU H . 18523 1 1035 . 1 1 94 94 GLU HA H 1 4.027 0.007 . 1 . . 693 . . 94 GLU HA . 18523 1 1036 . 1 1 94 94 GLU HB2 H 1 2.133 0.014 . 1 . . 812 . . 94 GLU HB2 . 18523 1 1037 . 1 1 94 94 GLU HB3 H 1 2.148 0.017 . 1 . . 692 . . 94 GLU HB3 . 18523 1 1038 . 1 1 94 94 GLU HG2 H 1 2.429 0.008 . 1 . . 1398 . . 94 GLU HG2 . 18523 1 1039 . 1 1 94 94 GLU HG3 H 1 2.429 0.008 . 1 . . 1400 . . 94 GLU HG3 . 18523 1 1040 . 1 1 94 94 GLU C C 13 179.323 0.014 . 1 . . 800 . . 94 GLU C . 18523 1 1041 . 1 1 94 94 GLU CA C 13 59.800 0.021 . 1 . . 801 . . 94 GLU CA . 18523 1 1042 . 1 1 94 94 GLU CB C 13 29.433 0.065 . 1 . . 799 . . 94 GLU CB . 18523 1 1043 . 1 1 94 94 GLU CG C 13 36.226 0.003 . 1 . . 1399 . . 94 GLU CG . 18523 1 1044 . 1 1 94 94 GLU N N 15 120.276 0.027 . 1 . . 117 . . 94 GLU N . 18523 1 1045 . 1 1 95 95 TYR H H 1 8.146 0.004 . 1 . . 33 . . 95 TYR H . 18523 1 1046 . 1 1 95 95 TYR HA H 1 4.205 0.022 . 1 . . 689 . . 95 TYR HA . 18523 1 1047 . 1 1 95 95 TYR HB2 H 1 3.239 0.005 . 1 . . 690 . . 95 TYR HB2 . 18523 1 1048 . 1 1 95 95 TYR HB3 H 1 3.239 0.005 . 1 . . 691 . . 95 TYR HB3 . 18523 1 1049 . 1 1 95 95 TYR HD1 H 1 7.057 0.005 . 3 . . 1125 . . 95 TYR HD1 . 18523 1 1050 . 1 1 95 95 TYR HD2 H 1 7.057 0.005 . 3 . . 1125 . . 95 TYR HD2 . 18523 1 1051 . 1 1 95 95 TYR HE1 H 1 6.746 0.007 . 3 . . 1135 . . 95 TYR HE1 . 18523 1 1052 . 1 1 95 95 TYR HE2 H 1 6.746 0.007 . 3 . . 1135 . . 95 TYR HE2 . 18523 1 1053 . 1 1 95 95 TYR C C 13 178.407 0.003 . 1 . . 455 . . 95 TYR C . 18523 1 1054 . 1 1 95 95 TYR CA C 13 61.732 0.021 . 1 . . 456 . . 95 TYR CA . 18523 1 1055 . 1 1 95 95 TYR CB C 13 38.756 0.033 . 1 . . 454 . . 95 TYR CB . 18523 1 1056 . 1 1 95 95 TYR CD1 C 13 133.780 0.062 . 3 . . 1129 . . 95 TYR CD1 . 18523 1 1057 . 1 1 95 95 TYR CD2 C 13 133.780 0.062 . 3 . . 1129 . . 95 TYR CD2 . 18523 1 1058 . 1 1 95 95 TYR CE1 C 13 118.676 0.022 . 3 . . 1138 . . 95 TYR CE1 . 18523 1 1059 . 1 1 95 95 TYR CE2 C 13 118.676 0.022 . 3 . . 1138 . . 95 TYR CE2 . 18523 1 1060 . 1 1 95 95 TYR N N 15 120.732 0.022 . 1 . . 34 . . 95 TYR N . 18523 1 1061 . 1 1 96 96 VAL H H 1 8.453 0.005 . 1 . . 231 . . 96 VAL H . 18523 1 1062 . 1 1 96 96 VAL HA H 1 3.459 0.007 . 1 . . 694 . . 96 VAL HA . 18523 1 1063 . 1 1 96 96 VAL HB H 1 2.203 0.021 . 1 . . 695 . . 96 VAL HB . 18523 1 1064 . 1 1 96 96 VAL HG11 H 1 0.972 0.019 . 1 . . 1108 . . 96 VAL HG11 . 18523 1 1065 . 1 1 96 96 VAL HG12 H 1 0.972 0.019 . 1 . . 1108 . . 96 VAL HG12 . 18523 1 1066 . 1 1 96 96 VAL HG13 H 1 0.972 0.019 . 1 . . 1108 . . 96 VAL HG13 . 18523 1 1067 . 1 1 96 96 VAL HG21 H 1 1.216 0.021 . 1 . . 1107 . . 96 VAL HG21 . 18523 1 1068 . 1 1 96 96 VAL HG22 H 1 1.216 0.021 . 1 . . 1107 . . 96 VAL HG22 . 18523 1 1069 . 1 1 96 96 VAL HG23 H 1 1.216 0.021 . 1 . . 1107 . . 96 VAL HG23 . 18523 1 1070 . 1 1 96 96 VAL C C 13 177.748 0.005 . 1 . . 443 . . 96 VAL C . 18523 1 1071 . 1 1 96 96 VAL CA C 13 66.851 0.046 . 1 . . 433 . . 96 VAL CA . 18523 1 1072 . 1 1 96 96 VAL CB C 13 32.116 0.052 . 1 . . 432 . . 96 VAL CB . 18523 1 1073 . 1 1 96 96 VAL CG1 C 13 22.401 0.025 . 1 . . 1110 . . 96 VAL CG1 . 18523 1 1074 . 1 1 96 96 VAL CG2 C 13 23.415 0.025 . 1 . . 1109 . . 96 VAL CG2 . 18523 1 1075 . 1 1 96 96 VAL N N 15 118.420 0.043 . 1 . . 232 . . 96 VAL N . 18523 1 1076 . 1 1 97 97 SER H H 1 8.593 0.003 . 1 . . 9 . . 97 SER H . 18523 1 1077 . 1 1 97 97 SER HA H 1 4.039 0.009 . 1 . . 696 . . 97 SER HA . 18523 1 1078 . 1 1 97 97 SER HB2 H 1 3.984 0.025 . 1 . . 698 . . 97 SER HB2 . 18523 1 1079 . 1 1 97 97 SER HB3 H 1 3.984 0.025 . 1 . . 697 . . 97 SER HB3 . 18523 1 1080 . 1 1 97 97 SER C C 13 176.926 . . 1 . . 445 . . 97 SER C . 18523 1 1081 . 1 1 97 97 SER CA C 13 61.981 0.037 . 1 . . 444 . . 97 SER CA . 18523 1 1082 . 1 1 97 97 SER CB C 13 63.420 0.036 . 1 . . 434 . . 97 SER CB . 18523 1 1083 . 1 1 97 97 SER N N 15 114.411 0.026 . 1 . . 10 . . 97 SER N . 18523 1 1084 . 1 1 98 98 GLY H H 1 7.881 0.006 . 1 . . 149 . . 98 GLY H . 18523 1 1085 . 1 1 98 98 GLY HA2 H 1 3.904 0.025 . 1 . . 700 . . 98 GLY HA2 . 18523 1 1086 . 1 1 98 98 GLY HA3 H 1 3.910 0.025 . 1 . . 699 . . 98 GLY HA3 . 18523 1 1087 . 1 1 98 98 GLY C C 13 175.568 0.002 . 1 . . 435 . . 98 GLY C . 18523 1 1088 . 1 1 98 98 GLY CA C 13 46.697 0.035 . 1 . . 436 . . 98 GLY CA . 18523 1 1089 . 1 1 98 98 GLY N N 15 107.474 0.026 . 1 . . 150 . . 98 GLY N . 18523 1 1090 . 1 1 99 99 ARG H H 1 7.563 0.006 . 1 . . 35 . . 99 ARG H . 18523 1 1091 . 1 1 99 99 ARG HA H 1 4.175 0.008 . 1 . . 701 . . 99 ARG HA . 18523 1 1092 . 1 1 99 99 ARG HB2 H 1 1.746 0.01 . 1 . . 703 . . 99 ARG HB2 . 18523 1 1093 . 1 1 99 99 ARG HB3 H 1 1.838 0.005 . 1 . . 702 . . 99 ARG HB3 . 18523 1 1094 . 1 1 99 99 ARG HG2 H 1 1.474 0.006 . 1 . . 1389 . . 99 ARG HG2 . 18523 1 1095 . 1 1 99 99 ARG HG3 H 1 1.474 0.006 . 1 . . 1388 . . 99 ARG HG3 . 18523 1 1096 . 1 1 99 99 ARG HD2 H 1 2.947 0.006 . 1 . . 1390 . . 99 ARG HD2 . 18523 1 1097 . 1 1 99 99 ARG HD3 H 1 3.071 0.007 . 1 . . 1391 . . 99 ARG HD3 . 18523 1 1098 . 1 1 99 99 ARG HE H 1 7.100 0.002 . 1 . . 37 . . 99 ARG HE . 18523 1 1099 . 1 1 99 99 ARG C C 13 177.899 0.009 . 1 . . 438 . . 99 ARG C . 18523 1 1100 . 1 1 99 99 ARG CA C 13 57.319 0.035 . 1 . . 439 . . 99 ARG CA . 18523 1 1101 . 1 1 99 99 ARG CB C 13 30.321 0.061 . 1 . . 437 . . 99 ARG CB . 18523 1 1102 . 1 1 99 99 ARG CG C 13 27.226 0.097 . 1 . . 1384 . . 99 ARG CG . 18523 1 1103 . 1 1 99 99 ARG CD C 13 42.833 0.017 . 1 . . 1383 . . 99 ARG CD . 18523 1 1104 . 1 1 99 99 ARG CZ C 13 159.562 . . 1 . . 1385 . . 99 ARG CZ . 18523 1 1105 . 1 1 99 99 ARG N N 15 119.821 0.035 . 1 . . 36 . . 99 ARG N . 18523 1 1106 . 1 1 99 99 ARG NE N 15 83.776 0.023 . 1 . . 38 . . 99 ARG NE . 18523 1 1107 . 1 1 100 100 VAL H H 1 7.841 0.008 . 1 . . 216 . . 100 VAL H . 18523 1 1108 . 1 1 100 100 VAL HA H 1 3.924 0.005 . 1 . . 704 . . 100 VAL HA . 18523 1 1109 . 1 1 100 100 VAL HB H 1 2.001 0.005 . 1 . . 705 . . 100 VAL HB . 18523 1 1110 . 1 1 100 100 VAL HG11 H 1 0.753 0.004 . 1 . . 1095 . . 100 VAL HG11 . 18523 1 1111 . 1 1 100 100 VAL HG12 H 1 0.753 0.004 . 1 . . 1095 . . 100 VAL HG12 . 18523 1 1112 . 1 1 100 100 VAL HG13 H 1 0.753 0.004 . 1 . . 1095 . . 100 VAL HG13 . 18523 1 1113 . 1 1 100 100 VAL HG21 H 1 0.875 0.003 . 1 . . 1096 . . 100 VAL HG21 . 18523 1 1114 . 1 1 100 100 VAL HG22 H 1 0.875 0.003 . 1 . . 1096 . . 100 VAL HG22 . 18523 1 1115 . 1 1 100 100 VAL HG23 H 1 0.875 0.003 . 1 . . 1096 . . 100 VAL HG23 . 18523 1 1116 . 1 1 100 100 VAL C C 13 176.316 0.013 . 1 . . 440 . . 100 VAL C . 18523 1 1117 . 1 1 100 100 VAL CA C 13 64.154 0.03 . 1 . . 442 . . 100 VAL CA . 18523 1 1118 . 1 1 100 100 VAL CB C 13 32.405 0.053 . 1 . . 441 . . 100 VAL CB . 18523 1 1119 . 1 1 100 100 VAL CG1 C 13 21.355 0.015 . 1 . . 1098 . . 100 VAL CG1 . 18523 1 1120 . 1 1 100 100 VAL CG2 C 13 21.473 0.065 . 1 . . 1097 . . 100 VAL CG2 . 18523 1 1121 . 1 1 100 100 VAL N N 15 116.362 0.028 . 1 . . 217 . . 100 VAL N . 18523 1 1122 . 1 1 101 101 HIS H H 1 7.991 0.007 . 1 . . 175 . . 101 HIS H . 18523 1 1123 . 1 1 101 101 HIS HA H 1 4.773 0.005 . 1 . . 706 . . 101 HIS HA . 18523 1 1124 . 1 1 101 101 HIS HB2 H 1 3.193 0.003 . 1 . . 707 . . 101 HIS HB2 . 18523 1 1125 . 1 1 101 101 HIS HB3 H 1 3.362 0.004 . 1 . . 708 . . 101 HIS HB3 . 18523 1 1126 . 1 1 101 101 HIS C C 13 175.212 0.008 . 1 . . 446 . . 101 HIS C . 18523 1 1127 . 1 1 101 101 HIS CA C 13 55.786 0.027 . 1 . . 448 . . 101 HIS CA . 18523 1 1128 . 1 1 101 101 HIS CB C 13 29.160 0.029 . 1 . . 447 . . 101 HIS CB . 18523 1 1129 . 1 1 101 101 HIS N N 15 117.182 0.021 . 1 . . 176 . . 101 HIS N . 18523 1 1130 . 1 1 102 102 GLY H H 1 7.927 0.007 . 1 . . 223 . . 102 GLY H . 18523 1 1131 . 1 1 102 102 GLY HA2 H 1 3.935 0.004 . 1 . . 709 . . 102 GLY HA2 . 18523 1 1132 . 1 1 102 102 GLY HA3 H 1 4.051 0.015 . 1 . . 710 . . 102 GLY HA3 . 18523 1 1133 . 1 1 102 102 GLY C C 13 174.136 0.004 . 1 . . 450 . . 102 GLY C . 18523 1 1134 . 1 1 102 102 GLY CA C 13 45.883 0.046 . 1 . . 449 . . 102 GLY CA . 18523 1 1135 . 1 1 102 102 GLY N N 15 108.994 0.027 . 1 . . 224 . . 102 GLY N . 18523 1 1136 . 1 1 103 103 GLU H H 1 8.245 0.016 . 1 . . 233 . . 103 GLU H . 18523 1 1137 . 1 1 103 103 GLU HA H 1 4.293 0.004 . 1 . . 711 . . 103 GLU HA . 18523 1 1138 . 1 1 103 103 GLU HB2 H 1 1.885 0.004 . 1 . . 712 . . 103 GLU HB2 . 18523 1 1139 . 1 1 103 103 GLU HB3 H 1 2.023 0.005 . 1 . . 713 . . 103 GLU HB3 . 18523 1 1140 . 1 1 103 103 GLU HG2 H 1 2.230 0.004 . 1 . . 1155 . . 103 GLU HG2 . 18523 1 1141 . 1 1 103 103 GLU HG3 H 1 2.230 0.004 . 1 . . 1154 . . 103 GLU HG3 . 18523 1 1142 . 1 1 103 103 GLU C C 13 176.440 0.012 . 1 . . 452 . . 103 GLU C . 18523 1 1143 . 1 1 103 103 GLU CA C 13 56.601 0.05 . 1 . . 453 . . 103 GLU CA . 18523 1 1144 . 1 1 103 103 GLU CB C 13 30.710 0.072 . 1 . . 507 . . 103 GLU CB . 18523 1 1145 . 1 1 103 103 GLU CG C 13 36.298 0.007 . 1 . . 1153 . . 103 GLU CG . 18523 1 1146 . 1 1 103 103 GLU N N 15 120.312 0.023 . 1 . . 234 . . 103 GLU N . 18523 1 1147 . 1 1 104 104 GLU H H 1 8.281 0.011 . 1 . . 179 . . 104 GLU H . 18523 1 1148 . 1 1 104 104 GLU HA H 1 4.241 0.006 . 1 . . 714 . . 104 GLU HA . 18523 1 1149 . 1 1 104 104 GLU HB2 H 1 1.890 0.008 . 1 . . 715 . . 104 GLU HB2 . 18523 1 1150 . 1 1 104 104 GLU HB3 H 1 1.978 0.01 . 1 . . 716 . . 104 GLU HB3 . 18523 1 1151 . 1 1 104 104 GLU HG2 H 1 2.173 0.001 . 1 . . 1150 . . 104 GLU HG2 . 18523 1 1152 . 1 1 104 104 GLU HG3 H 1 2.220 0.003 . 1 . . 1151 . . 104 GLU HG3 . 18523 1 1153 . 1 1 104 104 GLU C C 13 175.801 0.01 . 1 . . 503 . . 104 GLU C . 18523 1 1154 . 1 1 104 104 GLU CA C 13 56.608 0.035 . 1 . . 504 . . 104 GLU CA . 18523 1 1155 . 1 1 104 104 GLU CB C 13 30.637 0.08 . 1 . . 451 . . 104 GLU CB . 18523 1 1156 . 1 1 104 104 GLU CG C 13 36.291 0.004 . 1 . . 1152 . . 104 GLU CG . 18523 1 1157 . 1 1 104 104 GLU N N 15 121.826 0.04 . 1 . . 180 . . 104 GLU N . 18523 1 1158 . 1 1 105 105 ASP H H 1 8.266 0.013 . 1 . . 218 . . 105 ASP H . 18523 1 1159 . 1 1 105 105 ASP HA H 1 4.877 0.004 . 1 . . 717 . . 105 ASP HA . 18523 1 1160 . 1 1 105 105 ASP HB2 H 1 2.578 0.006 . 1 . . 719 . . 105 ASP HB2 . 18523 1 1161 . 1 1 105 105 ASP HB3 H 1 2.770 0.008 . 1 . . 718 . . 105 ASP HB3 . 18523 1 1162 . 1 1 105 105 ASP C C 13 175.291 . . 1 . . 506 . . 105 ASP C . 18523 1 1163 . 1 1 105 105 ASP CA C 13 51.865 0.034 . 1 . . 1149 . . 105 ASP CA . 18523 1 1164 . 1 1 105 105 ASP CB C 13 41.769 0.019 . 1 . . 505 . . 105 ASP CB . 18523 1 1165 . 1 1 105 105 ASP N N 15 122.426 0.034 . 1 . . 219 . . 105 ASP N . 18523 1 1166 . 1 1 106 106 PRO HA H 1 4.461 0.037 . 1 . . 720 . . 106 PRO HA . 18523 1 1167 . 1 1 106 106 PRO HB2 H 1 2.004 0.007 . 1 . . 722 . . 106 PRO HB2 . 18523 1 1168 . 1 1 106 106 PRO HB3 H 1 2.289 0.004 . 1 . . 721 . . 106 PRO HB3 . 18523 1 1169 . 1 1 106 106 PRO HG2 H 1 1.968 0.01 . 1 . . 1102 . . 106 PRO HG2 . 18523 1 1170 . 1 1 106 106 PRO HG3 H 1 2.013 0.012 . 1 . . 1103 . . 106 PRO HG3 . 18523 1 1171 . 1 1 106 106 PRO HD2 H 1 3.873 0.003 . 1 . . 1100 . . 106 PRO HD2 . 18523 1 1172 . 1 1 106 106 PRO HD3 H 1 3.873 0.003 . 1 . . 1101 . . 106 PRO HD3 . 18523 1 1173 . 1 1 106 106 PRO C C 13 177.637 0.0 . 1 . . 468 . . 106 PRO C . 18523 1 1174 . 1 1 106 106 PRO CA C 13 64.134 0.031 . 1 . . 467 . . 106 PRO CA . 18523 1 1175 . 1 1 106 106 PRO CB C 13 32.390 0.05 . 1 . . 466 . . 106 PRO CB . 18523 1 1176 . 1 1 106 106 PRO CG C 13 27.189 0.003 . 1 . . 1104 . . 106 PRO CG . 18523 1 1177 . 1 1 106 106 PRO CD C 13 51.121 0.015 . 1 . . 1099 . . 106 PRO CD . 18523 1 1178 . 1 1 107 107 THR H H 1 8.294 0.005 . 1 . . 71 . . 107 THR H . 18523 1 1179 . 1 1 107 107 THR HA H 1 4.254 0.008 . 1 . . 723 . . 107 THR HA . 18523 1 1180 . 1 1 107 107 THR HB H 1 4.245 0.006 . 1 . . 527 . . 107 THR HB . 18523 1 1181 . 1 1 107 107 THR HG21 H 1 1.212 0.009 . 1 . . 1105 . . 107 THR HG21 . 18523 1 1182 . 1 1 107 107 THR HG22 H 1 1.212 0.009 . 1 . . 1105 . . 107 THR HG22 . 18523 1 1183 . 1 1 107 107 THR HG23 H 1 1.212 0.009 . 1 . . 1105 . . 107 THR HG23 . 18523 1 1184 . 1 1 107 107 THR C C 13 174.911 0.01 . 1 . . 463 . . 107 THR C . 18523 1 1185 . 1 1 107 107 THR CA C 13 63.014 0.048 . 1 . . 459 . . 107 THR CA . 18523 1 1186 . 1 1 107 107 THR CB C 13 69.697 0.028 . 1 . . 460 . . 107 THR CB . 18523 1 1187 . 1 1 107 107 THR CG2 C 13 21.952 0.01 . 1 . . 1106 . . 107 THR CG2 . 18523 1 1188 . 1 1 107 107 THR N N 15 111.794 0.034 . 1 . . 72 . . 107 THR N . 18523 1 1189 . 1 1 108 108 LYS H H 1 7.674 0.003 . 1 . . 85 . . 108 LYS H . 18523 1 1190 . 1 1 108 108 LYS HA H 1 4.322 0.004 . 1 . . 724 . . 108 LYS HA . 18523 1 1191 . 1 1 108 108 LYS HB2 H 1 1.728 0.005 . 1 . . 725 . . 108 LYS HB2 . 18523 1 1192 . 1 1 108 108 LYS HB3 H 1 1.892 0.006 . 1 . . 726 . . 108 LYS HB3 . 18523 1 1193 . 1 1 108 108 LYS HG2 H 1 1.344 0.022 . 1 . . 1166 . . 108 LYS HG2 . 18523 1 1194 . 1 1 108 108 LYS HG3 H 1 1.401 0.013 . 1 . . 1167 . . 108 LYS HG3 . 18523 1 1195 . 1 1 108 108 LYS HD2 H 1 1.652 0.007 . 1 . . 1168 . . 108 LYS HD2 . 18523 1 1196 . 1 1 108 108 LYS HD3 H 1 1.642 . . 1 . . 1171 . . 108 LYS HD3 . 18523 1 1197 . 1 1 108 108 LYS HE2 H 1 2.976 0.003 . 1 . . 1169 . . 108 LYS HE2 . 18523 1 1198 . 1 1 108 108 LYS HE3 H 1 2.976 0.003 . 1 . . 1170 . . 108 LYS HE3 . 18523 1 1199 . 1 1 108 108 LYS C C 13 175.415 0.002 . 1 . . 457 . . 108 LYS C . 18523 1 1200 . 1 1 108 108 LYS CA C 13 56.407 0.05 . 1 . . 469 . . 108 LYS CA . 18523 1 1201 . 1 1 108 108 LYS CB C 13 33.092 0.056 . 1 . . 458 . . 108 LYS CB . 18523 1 1202 . 1 1 108 108 LYS N N 15 122.991 0.033 . 1 . . 86 . . 108 LYS N . 18523 1 1203 . 1 1 109 109 LYS H H 1 7.577 0.002 . 1 . . 461 . . 109 LYS H . 18523 1 1204 . 1 1 109 109 LYS HA H 1 4.122 0.004 . 1 . . 729 . . 109 LYS HA . 18523 1 1205 . 1 1 109 109 LYS HB2 H 1 1.667 0.004 . 1 . . 727 . . 109 LYS HB2 . 18523 1 1206 . 1 1 109 109 LYS HB3 H 1 1.794 0.004 . 1 . . 728 . . 109 LYS HB3 . 18523 1 1207 . 1 1 109 109 LYS HG2 H 1 1.361 0.003 . 1 . . 1159 . . 109 LYS HG2 . 18523 1 1208 . 1 1 109 109 LYS HG3 H 1 1.361 0.003 . 1 . . 1160 . . 109 LYS HG3 . 18523 1 1209 . 1 1 109 109 LYS HD2 H 1 1.628 0.017 . 1 . . 1161 . . 109 LYS HD2 . 18523 1 1210 . 1 1 109 109 LYS HD3 H 1 1.626 0.018 . 1 . . 1162 . . 109 LYS HD3 . 18523 1 1211 . 1 1 109 109 LYS HE2 H 1 2.959 0.012 . 1 . . 1157 . . 109 LYS HE2 . 18523 1 1212 . 1 1 109 109 LYS HE3 H 1 2.959 0.012 . 1 . . 1158 . . 109 LYS HE3 . 18523 1 1213 . 1 1 109 109 LYS C C 13 181.190 . . 1 . . 465 . . 109 LYS C . 18523 1 1214 . 1 1 109 109 LYS CA C 13 57.857 0.026 . 1 . . 1156 . . 109 LYS CA . 18523 1 1215 . 1 1 109 109 LYS CB C 13 33.944 0.073 . 1 . . 464 . . 109 LYS CB . 18523 1 1216 . 1 1 109 109 LYS CG C 13 24.911 0.083 . 1 . . 1163 . . 109 LYS CG . 18523 1 1217 . 1 1 109 109 LYS CD C 13 29.279 0.035 . 1 . . 1164 . . 109 LYS CD . 18523 1 1218 . 1 1 109 109 LYS CE C 13 42.512 0.016 . 1 . . 1165 . . 109 LYS CE . 18523 1 1219 . 1 1 109 109 LYS N N 15 127.298 0.034 . 1 . . 462 . . 109 LYS N . 18523 1 stop_ save_